SCHEMBL9921756

SCHEMBL9921756

CCC(C)(C)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
GAA P10253 1/20 0.38
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 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
SCHEMBL17393082 1.00 ALDH1A1 (0.38) ALDH1A1GAAPOLBL3MBTL1MEN1
SCHEMBL19115674 0.86 MAPT (0.31) ALDH1A1GAAPOLBMAPT
SCHEMBL19251669 0.85 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL16284394 0.82 ALDH1A1 (0.35) ALDH1A1GAAPOLBL3MBTL1MEN1
SCHEMBL13813386 0.81 ALDH1A1 (0.38) ALDH1A1GAAPOLBL3MBTL1MEN1
SCHEMBL21121000 0.81 HRH3 (0.38) ALDH1A1POLBTSHR
SCHEMBL21291301 0.80 L3MBTL3 (0.39) ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL12091668 0.80 TSHR (0.38) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL5839782 0.78 ALDH1A1 (0.37) ALDH1A1GAAPOLBL3MBTL1MEN1
SCHEMBL16975487 0.78 ALDH1A1 (0.41) ALDH1A1GAAPOLBL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023230542-A2 PYRAZOLO[1,5-a]PYRIDINE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
US-11827656-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2023-11-28 US disclosed
US-20230373963-A1 3-[(1H-PYRAZOL-R-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF BEIGENE, LTD. (KY) 2023-11-23 US disclosed
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-11-23 US disclosed
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-11-09 US disclosed
US-20230212186-A1 CYANO CYCLOBUTYL COMPOUNDS FOR CBL-B INHIBITION AND USES THEREOF NURIX THERAPEUTICS, INC. 2023-07-06 US disclosed
US-20230118751-A1 FUSED RING COMPOUND AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-04-20 US disclosed
US-11578087-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-02-14 US disclosed
US-11530229-B2 Cyano cyclobutyl compounds for CBL-B inhibition and uses thereof NURIX THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
US-11219625-B2 Inhibitors of N-linked glycosylation and methods using same YALE UNIVERSITY (US) 2022-01-11 US disclosed
US-7985764-B2 Amide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-26 US disclosed
US-20110070168-A1 MACROCYCLIC PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
US-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-05 US disclosed
US-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-05 US disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 EP disclosed
US-7411004-B2 Alzheimer's disease MERCK SHARP & DOHME LTD. (GB) 2008-08-12 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 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 (14 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-20110070168-A1 MACROCYCLIC PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, ZC3HAV1L ALDH1A1 4490/4885GAA 2746/4885POLB 743/4885
US-11827656-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 ALDH1A1 3439/4885GAA 164/4885POLB 692/4885
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 ALDH1A1 1722/4885GAA 1747/4885POLB 413/4885
US-20230373963-A1 3-[(1H-PYRAZOL-R-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF HIPK1, HIPK3, HIPK2 ALDH1A1 3197/4885GAA 1925/4885POLB 2853/4885
US-11530229-B2 Cyano cyclobutyl compounds for CBL-B inhibition and uses thereof CBLB, CBL, CBLC ALDH1A1 4692/4885GAA 1063/4885POLB 265/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 ALDH1A1 1535/4885GAA 234/4885POLB 2852/4885
US-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF HTR7, HTR2B, NPSR1 ALDH1A1 3607/4885GAA 4756/4885POLB 4244/4885
US-20230118751-A1 FUSED RING COMPOUND AND APPLICATION THEREOF P2RX4, P2RX3, P2RX2 ALDH1A1 1462/4885GAA 3503/4885POLB 4416/4885
US-11219625-B2 Inhibitors of N-linked glycosylation and methods using same ENGASE, FUT5, B3GNT2 ALDH1A1 2118/4885GAA 13/4885POLB 2967/4885
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 ALDH1A1 1210/4885GAA 4234/4885POLB 4665/4885
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR AKT2, MTOR, AKT1 ALDH1A1 4322/4885GAA 845/4885POLB 2567/4885
US-11578087-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 ALDH1A1 585/4885GAA 125/4885POLB 560/4885
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE PCK1, PDK2, PDK1 ALDH1A1 1403/4885GAA 546/4885POLB 1325/4885
US-20230212186-A1 CYANO CYCLOBUTYL COMPOUNDS FOR CBL-B INHIBITION AND USES THEREOF CBLB, CBL, CBLC ALDH1A1 4692/4885GAA 1063/4885POLB 265/4885

“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.