SCHEMBL48345

SCHEMBL48345

CN(C)CCNS(C)(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PRMT3 O60678 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT1 Q99873 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 2/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 2/20 0.35
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
CA1 P00915 2/20 0.33

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
SCHEMBL48520 0.85 CA12 (0.50) ALDH1A1TSHRNPSR1PRMT3CARM1
SCHEMBL13328484 0.84 ALDH1A1 (0.44) ALDH1A1TSHRNPSR1RECQLPOLB
SCHEMBL14017913 0.83 ALDH1A1 (0.45) ALDH1A1TSHRPOLBCA2CA12
SCHEMBL15834123 0.78 ALDH1A1 (0.40) ALDH1A1POLBALOX15MAPTCA1
SCHEMBL26210630 0.78 ALDH1A1 (0.40) ALDH1A1TSHRNPSR1RECQLPOLB
SCHEMBL24210620 0.78 ALDH1A1 (0.54) ALDH1A1TSHRNPSR1PRMT3CARM1
SCHEMBL8846071 0.77 ALDH1A1 (0.38) ALDH1A1RECQLPOLBALOX15MAPT
SCHEMBL8018138 0.77 ALDH1A1 (0.60) ALDH1A1TSHRNPSR1PRMT3CARM1
SCHEMBL3151454 0.77 ALDH1A1 (0.60) ALDH1A1TSHRNPSR1PRMT3CARM1
SCHEMBL11033708 0.77 ALDH1A1 (1.00) ALDH1A1TSHRNPSR1PRMT3CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044053-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-04 US claimed
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-04 US claimed
US-6638965-B2 Antitumor agents BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-10-28 US claimed
EP-1341760-A1 SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-09-10 EP claimed
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-10 US claimed
WO-2002036564-A1 SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-05-10 WO claimed
EP-3992196-B1 1H-[1, 2, 3]TRIAZOLO[4, 5-H] QUINAZOLINE COMPOUNDS ACTING AS PROTEIN KINASE INHIBITORS CHENGDU CYNOGEN BIO PHARMACEUTICAL TECH CO LTD (CN) 2023-12-13 EP disclosed
US-20230322741-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2023-10-12 US disclosed
WO-2023023156-A1 ACID CERAMIDASE INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-02-23 WO disclosed
US-20230041334-A1 METHODS AND COMPOSITIONS FOR SMOKING CESSATION BEHAVIORAL DIAGNOSTICS, LLC (US) 2023-02-09 US disclosed
WO-2022236256-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2022-11-10 WO disclosed
EP-3992196-A1 1H-[1, 2, 3]TRIAZOLO[4, 5-H] QUINAZOLINE COMPOUNDS ACTING AS PROTEIN KINASE INHIBITORS Chengdu Cynogen Bio-Pharmaceutical Technology Co., Ltd. (CN) 2022-05-04 EP disclosed
WO-2022068848-A1 3-[(1H-PYRAZOL-4-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF BEIGENE, LTD. (KY) 2022-04-07 WO disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
WO-2007127183-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH, INC. (US) 2007-11-08 WO disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed
US-5081261-A Antiinflammatory agents ALLERGAN, INC. (US) 1992-01-14 US 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 (6 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-20230322741-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF ACKR3, CCR5, CXCR3 ALDH1A1 2077/4885TSHR 804/4885NPSR1 80/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA ALDH1A1 2960/4885TSHR 3822/4885NPSR1 4688/4885
US-20040044053-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 ALDH1A1 1242/4885TSHR 3811/4885NPSR1 1951/4885
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 ALDH1A1 1242/4885TSHR 3811/4885NPSR1 1951/4885
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, CSNK1A1, MKI67 ALDH1A1 1477/4885TSHR 3870/4885NPSR1 2321/4885
US-20230041334-A1 METHODS AND COMPOSITIONS FOR SMOKING CESSATION PDE5A, PDE3A, PDE2A ALDH1A1 559/4885TSHR 2578/4885NPSR1 2044/4885

“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.