SCHEMBL970318

SCHEMBL970318

CC(C)COc1ccc(C=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.57
ALDH1A1 P00352 5/20 0.52
CYP2A6 P11509 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
TYR P14679 1/20 0.47
KDM4E B2RXH2 3/20 0.45
MTOR P42345 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL4052664 0.90 RAB9A (0.55) ALDH1A3ALDH1A1CYP2A6SMN1; SMN2MAPT
SCHEMBL1931817 0.85 LMNA (0.58) ALDH1A3ALDH1A1CYP2A6SMN1; SMN2MAPT
SCHEMBL3595449 0.85 LMNA (0.58) ALDH1A3ALDH1A1CYP2A6SMN1; SMN2MAPT
SCHEMBL17070011 0.83 ALDH1A1 (0.50) ALDH1A3ALDH1A1CYP2A6SMN1; SMN2MAPT
SCHEMBL5367181 0.83 ALDH1A3 (0.61) ALDH1A3ALDH1A1CYP2A6SMN1; SMN2MAPT
SCHEMBL9470287 0.83 ALDH1A3 (0.52) ALDH1A3ALDH1A1CYP2A6SMN1; SMN2MAPT
SCHEMBL123415 0.82 MAPT (0.55) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL15335388 0.82 ALDH1A3 (0.50) ALDH1A3ALDH1A1CYP2A6SMN1; SMN2MAPT
SCHEMBL6836528 0.82 ALDH1A3 (0.50) ALDH1A3ALDH1A1CYP2A6SMN1; SMN2MAPT
SCHEMBL6416510 0.82 NPC1 (0.46) ALDH1A1SMN1; SMN2MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271162-A Preparation method of 4-isobutoxybenzylamine hydrochloride 福建福瑞明德药业有限公司 2024-07-02 CN claimed
CN-106588753-B Pimanerin preparation method 重庆医药工业研究院有限责任公司 2021-07-09 CN claimed
CN-107200707-B Preparation method of pimavanserin 河北科技大学 2020-10-02 CN claimed
EP-3344603-B1 A PRODUCTION METHOD OF 1-(4-FLUOROBENZYL)-3-(4-ISOBUTOXYBENZYL)-1-(1-METHYLPIPERIDIN- 4 YL)UREA AND ITS DEUTERATED ANALOGS NOT CONTAINING DIMERIC IMPURITIES ZENTIVA KS (CZ) 2020-09-30 EP claimed
CN-107011137-B Synthetic method of pimavanserin intermediate 杭州科耀医药科技有限公司 2020-09-11 CN claimed
CN-107216271-B Tartaric acid Mo Fanselin impurity and preparation method thereof 沈阳药科大学 2018-11-13 CN claimed
EP-3344603-A1 A PRODUCTION METHOD OF 1-(4-FLUOROBENZYL)-3-(4-ISOBUTOXYBENZYL)-1-(1-METHYLPIPERIDIN- 4 YL)UREA AND ITS DEUTERATED ANALOGS NOT CONTAINING DIMERIC IMPURITIES Zentiva, K.S. (CZ) 2018-07-11 EP claimed
CN-107216271-A Tartaric acid Mo Fanselin impurity and preparation method thereof 沈阳药科大学 2017-09-29 CN claimed
CN-107011137-A A kind of synthetic method of Mo Fanselin intermediate 杭州科耀医药科技有限公司 2017-08-04 CN claimed
WO-2017036432-A1 A PRODUCTION METHOD OF 1-(4-FLUOROBENZYL)-3-(4-ISOBUTOXYBENZYL)-1-(1-METHYLPIPERIDIN- 4— YL)UREA AND ITS DEUTERATED ANALOGS NOT CONTAINING DIMERIC IMPURITIES ZENTIVA, K.S. (CZ) 2017-03-09 WO claimed
EP-2289879-B1 Synthesis of a crystalline form of n-(4-fluorobenzyl)-n-(1-methylpiperidin-4-yl)-n'-(4-(2-methylpropyloxy)phenylmethyl)carbamide tartrate salt ACADIA PHARM INC (US) 2014-11-12 EP claimed
CN-102079731-A Method for synthesizing 2-(3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazole formic acid SHANGHAI HECHEN MEDICAL ENGINEERING CO LTD 2011-06-01 CN claimed
US-7790899-B2 Synthesis of N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl)carbamide and its tartrate salt and crystalline forms ACADIA PHARMACEUTICALS, INC. (US) 2010-09-07 US claimed
CN-101778821-A Synthesizing of N-(4-luorobenzyl)-N-(1-methyl piperidine-4-yl)-N '-(4-(2-methyl propoxy-) phenyl methyl) urea and tartrate and crystal formation ACADIA PHARM INC 2010-07-14 CN claimed
EP-2146960-A2 SYNTHESIS OF N-(4-FLUOROBENZYL)-N-(L-METHYLPIPERIDIN-4-YL)-N'-(4- (2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND CRYSTALLINE FORMS Acadia Pharmaceuticals Inc. (US) 2010-01-27 EP claimed
WO-2008144326-A2 SYNTHESIS OF N-(4-FLUOROBENZYL)-N-(L-METHYLPIPERIDIN-4-YL)-N'-(4- (2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND CRYSTALLINE FORMS ACADIA PHARMACEUTICALS INC. (US) 2008-11-27 WO claimed
US-20070260064-A1 SYNTHESIS OF N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND CRYSTALLINE FORMS ACADIA PHARMACEUTICALS INC. 2007-11-08 US claimed
CN-116354923-B Nitrogen-containing heterocyclic compound and application thereof 江苏恩华药业股份有限公司 2025-05-09 CN disclosed
US-4999186-A P-aminobenzoic acid derivatives; chromogens THE PROCTER & GAMBLE COMPANY (US) 1991-03-12 US disclosed
EP-0255157-A2 Novel sunscreen agents, sunscreen compositions and methods for preventing sunburn THE PROCTER & GAMBLE COMPANY (US) 1988-02-03 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 (1 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-20070260064-A1 SYNTHESIS OF N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND CRYSTALLINE FORMS MTAP, CPN1, DNPEP ALDH1A3 3803/4885ALDH1A1 3605/4885CYP2A6 2842/4885

“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.