SCHEMBL1043035

SCHEMBL1043035

[CH2]c1ccc(OCC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 2/20 0.47
XBP1 P17861 1/20 0.47
CYP2C9 P11712 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
ACACB O00763 4/20 0.41
GPR88 Q9GZN0 1/20 0.41
NR1H4 Q96RI1 2/20 0.41
S1PR1 P21453 1/20 0.41

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
SCHEMBL123415 0.88 MAPT (0.55) MAPTHPGDPOLBXBP1CYP2C9
SCHEMBL6416513 0.83 MAPT (0.49) MAPTHPGDPOLBXBP1CYP2C9
SCHEMBL20851318 0.81 MAPT (0.58) MAPTHPGDPOLBXBP1CYP2C9
SCHEMBL7329813 0.79 NQO1 (0.67) MAPTHPGDPOLBXBP1CYP2C9
SCHEMBL3182331 0.79 HPGD (0.66) MAPTHPGDPOLBXBP1CYP2C9
SCHEMBL2231003 0.79 TSHR (0.50) MAPTHPGDPOLBXBP1CYP2C9
SCHEMBL12306453 0.77 MAPT (0.47) MAPTHPGDPOLBXBP1CYP2C9
SCHEMBL2312172 0.77 SCN4A (0.52) MAPTHPGDPOLBXBP1CYP2C9
SCHEMBL940075 0.77 MAPT (0.54) MAPTHPGDPOLBXBP1CYP2C9
SCHEMBL7528014 0.77 MAPT (0.47) MAPTHPGDPOLBXBP1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20200181087-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. (US) 2020-06-11 US claimed
CN-110156664-A A kind of synthetic method of piperazine Ma Selin 常州大学 2019-08-23 CN 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
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
CN-109111385-B 5-HT 2A Receptor inhibitor and preparation method and application thereof 上海翰森生物医药科技有限公司 2023-06-30 CN disclosed
US-20230143664-A1 HETEROAROMATIC DERIVATIVES HAVING SEROTONIN RECEPTOR BINDING ACTIVITY SHIONOGI & CO., LTD. (JP) 2023-05-11 US disclosed
CN-115605202-A Aromatic heterocyclic derivatives having serotonin receptor binding activity 盐野义制药株式会社(JP) 2023-01-13 CN disclosed
CN-109111385-A 5-HT2AAcceptor inhibitor and its preparation method and application 上海翰森生物医药科技有限公司 2019-01-01 CN disclosed
CN-108395384-A The green synthesis method of isocyanates 辽宁科技学院 2018-08-14 CN disclosed
CN-101657434-B Process for production of polymers with iron complex catalyst DAINIPPON INK & CHEMICALS 2013-11-06 CN disclosed
EP-2269995-B1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DAINIPPON INK & CHEMICALS (JP) 2012-12-12 EP disclosed
US-5306808-A Endothelin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-26 US disclosed
EP-0547317-A1 Endothelin antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-23 EP disclosed
EP-0499266-A1 Endothelin antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-19 EP disclosed
EP-0470256-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1992-02-12 EP disclosed
WO-1991013089-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-09-05 WO disclosed
US-4285961-A MICROBIOCIDES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-08-25 US disclosed
EP-0015639-A2 Enantiomers of triazole compounds, a process for preparing them, their use as plant fungicides and growth regulating agents and compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-09-17 EP disclosed

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

For each of this compound's patents that has machine-readable text (3 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-20230143664-A1 HETEROAROMATIC DERIVATIVES HAVING SEROTONIN RECEPTOR BINDING ACTIVITY HTR1A, HTR7, HTR2A MAPT 4324/4885HPGD 4350/4885POLB 3292/4885
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 MAPT 4837/4885HPGD 4204/4885POLB 1353/4885
US-20200181087-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, NR2C2, CYP4A22 MAPT 4854/4885HPGD 3880/4885POLB 1249/4885

“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.