SCHEMBL868642

SCHEMBL868642

CC(C)COc1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.54
MMP3 P08254 1/20 0.54
ALDH1A1 P00352 5/20 0.53
HPGD P15428 4/20 0.53
MAOB P27338 1/20 0.48
POLB P06746 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ACACB O00763 5/20 0.46
HRH3 Q9Y5N1 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9924742 0.94 MMP2 (0.61) MMP2MMP3ALDH1A1HPGDMAOB
Cyanate SCHEMBL27852686 0.94 MMP2 (0.54) MMP2MMP3ALDH1A1HPGDMAOB
SCHEMBL17654333 0.86 SLC6A2 (0.52) MMP2MMP3ALDH1A1HPGDPOLB
SCHEMBL11523862 0.85 GRIA1 (0.48) MMP2MMP3ALDH1A1HPGDPOLB
SCHEMBL11523868 0.85 GRIA1 (0.48) MMP2MMP3ALDH1A1HPGDPOLB
SCHEMBL123415 0.84 MAPT (0.55) ALDH1A1HPGDPOLBMAPTKDM4E
SCHEMBL25484191 0.84 LMNA (0.60) MMP2MMP3ALDH1A1HPGDMAOB
SCHEMBL8605326 0.84 MMP2 (0.51) MMP2MMP3ALDH1A1HPGDMAOB
SCHEMBL29113764 0.84 LMNA (0.60) MMP2MMP3ALDH1A1HPGDMAOB
SCHEMBL30102507 0.84 LMNA (0.60) MMP2MMP3ALDH1A1HPGDMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 115 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840515-B2 Methods for preparing N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl)carbamide and its tartrate salt and polymorphic form c ACADIA PHARMACEUTICALS INC. (US) 2023-12-12 US claimed
US-20220024871-A1 METHODS FOR PREPARING N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND POLYMORPHIC FORM C ACADIA PHARMACEUTICALS INC. 2022-01-27 US claimed
EP-3325444-B1 METHODS FOR PREPARING N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND POLYMORPHIC FORM C ACADIA PHARM INC (US) 2021-07-07 EP claimed
CN-107848972-B Process for the preparation of N- (4-fluorobenzyl) -N- (1-methylpiperidin-4-yl) -N' - (4- (2-methylpropyloxy) phenylmethyl) urea and its tartrate salt and polymorph C 阿卡蒂亚药品公司 2021-06-18 CN claimed
EP-3828170-A1 METHOD FOR SAFELY PREPARING PIMAVANSERIN AND TARTRATE SALT THEREOF USING TRIPHOSGENE Livzon New North River Pharmaceutical Co., Ltd. (CN) 2021-06-02 EP claimed
US-10934257-B2 Method for preparing pimavanserin and tartrate thereof by using triphosgene LIVZON NEW NORTH RIVER PHARMACEUTICAL CO., LTD. (CN) 2021-03-02 US claimed
CN-108794351-B Preparation method of pimavanserin key intermediate 丽珠集团新北江制药股份有限公司 2021-02-09 CN claimed
CN-108947891-B Method for safely preparing pimavanserin and tartrate thereof by using triphosgene 丽珠集团新北江制药股份有限公司 2021-02-09 CN claimed
CN-109613163-B Detection method for pimavanserin tartrate and impurities thereof 丽珠集团新北江制药股份有限公司 2021-01-26 CN claimed
US-20200369612-A1 Method for Safely Preparing Pimavanserin and Tartrate Thereof by Using Triphosgene LIVZON NEW NORTH RIVER PHARMACEUTICAL CO., LTD. (CN) 2020-11-26 US claimed
US-10597363-B2 Methods for preparing N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl)carbamide and its tartrate salt and polymorphic form C ACADIA PHARMACEUTICALS INC. (US) 2020-03-24 US claimed
WO-2020020064-A1 METHOD FOR SAFELY PREPARING PIMAVANSERIN AND TARTRATE SALT THEREOF USING TRIPHOSGENE 丽珠集团新北江制药股份有限公司 2020-01-30 WO claimed
CN-109613163-A A kind of detection method of tartaric acid Mo Fanselin and its impurity 丽珠集团新北江制药股份有限公司 2019-04-12 CN claimed
CN-109574951-A A kind of preparation method of Febuxostat 安徽省庆云医药股份有限公司 2019-04-05 CN claimed
US-20190047955-A1 METHODS FOR PREPARING N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND POLYMORPHIC FORM ACADIA PHARMACEUTICALS INC. 2019-02-14 US claimed
CN-108947891-A The method for safely preparing a Mo Fanselin and its tartrate using triphosgene 丽珠集团新北江制药股份有限公司 2018-12-07 CN claimed
US-20180208556-A1 Method for Preparing Pimavanserin SCI PHARMTECH, INC. (TW) 2018-07-26 US claimed
EP-3351532-A1 METHOD FOR PREPARING PIMAVANSERIN SCI Pharmatech, Inc. (TW) 2018-07-25 EP claimed
EP-3325444-A1 METHODS FOR PREPARING N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND POLYMORPHIC FORM C Acadia Pharmaceuticals Inc. (US) 2018-05-30 EP claimed
WO-2017015272-A1 METHODS FOR PREPARING N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND POLYMORPHIC FORM C ACADIA PHARMACEUTICALS INC. (US) 2017-01-26 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200369612-A1 Method for Safely Preparing Pimavanserin and Tartrate Thereof by Using Triphosgene PNP, PIM1, TYMP MMP2 3260/4885MMP3 3639/4885ALDH1A1 2068/4885
US-11840515-B2 Methods for preparing N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl)carbamide and its tartrate salt and polymorphic form c NR3C2, NR2C2, CYP4A22 MMP2 2038/4885MMP3 3109/4885ALDH1A1 3655/4885
US-20180208556-A1 Method for Preparing Pimavanserin PIM1, ALKBH1, PIM3 MMP2 2474/4885MMP3 2665/4885ALDH1A1 115/4885
US-20220024871-A1 METHODS FOR PREPARING N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND POLYMORPHIC FORM C NR3C2, NR2C2, CYP4A22 MMP2 2083/4885MMP3 3139/4885ALDH1A1 3677/4885
US-10597363-B2 Methods for preparing N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl)carbamide and its tartrate salt and polymorphic form C NR3C2, CYP4A22, NR2C2 MMP2 2290/4885MMP3 3350/4885ALDH1A1 3967/4885
US-20190047955-A1 METHODS FOR PREPARING N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND POLYMORPHIC FORM NR3C2, CYP4A22, NR2C2 MMP2 1952/4885MMP3 2895/4885ALDH1A1 3676/4885
US-10934257-B2 Method for preparing pimavanserin and tartrate thereof by using triphosgene PNP, TYMP, PIM1 MMP2 3206/4885MMP3 3670/4885ALDH1A1 2201/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.