SCHEMBL69296

SCHEMBL69296

CC(C)c1ccc2c(c1)OCCN2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC11 Q96DB2 1/20 0.35
FABP6 P51161 1/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL18482873 0.90 GAA (0.39) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL20824842 0.87 MAPT (0.44) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL19202495 0.87 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL70215 0.86 ALDH1A1 (0.62) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL23437901 0.84 GAA (0.44) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL71443 0.82 LMNA (0.34) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL15887350 0.82 PTGS1 (0.52) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL4137061 0.82 PTGS1 (0.64) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL18090602 0.78 FABP6 (0.50) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL14924059 0.77 MAPT (0.50) ALDH1A1GAAHSD17B10MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151833-A1 SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-07-18 WO disclosed
US-12030878-B2 Substituted indole ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-12030878-B2 Substituted indole ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
WO-2024119122-A1 CDK INHIBITORS AND METHODS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-06-06 WO disclosed
WO-2024108155-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO disclosed
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2024-02-29 US disclosed
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2024-02-29 US disclosed
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2024-02-29 US disclosed
US-11912703-B2 6-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-27 US disclosed
US-11820768-B2 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-21 US disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 US disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. 2011-05-19 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 US disclosed
US-20100298339-A1 [1,2,4]Triazolo[1,5-a]Pyridine and [1,2,4]Triazolo[1,5-c]Pyrimidine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-11-25 US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 US disclosed
US-20090124609-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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-11820768-B2 4-azaindole compounds TLR7, TLR9, TLR5 ALDH1A1 1039/4885GAA 2277/4885HSD17B10 4116/4885
US-20090318436-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET ALDH1A1 156/4885GAA 79/4885HSD17B10 876/4885
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN1 ALDH1A1 4359/4885GAA 2200/4885HSD17B10 3636/4885
US-11912703-B2 6-azaindole compounds TLR7, TLR9, TLR5 ALDH1A1 1363/4885GAA 2486/4885HSD17B10 4304/4885
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT6 ALDH1A1 2062/4885GAA 2015/4885HSD17B10 2484/4885
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 2249/4885GAA 1284/4885HSD17B10 376/4885
US-20100298339-A1 [1,2,4]Triazolo[1,5-a]Pyridine and [1,2,4]Triazolo[1,5-c]Pyrimidine Compounds and Their Use AXL, TYRO3, FLT3 ALDH1A1 2831/4885GAA 2342/4885HSD17B10 4831/4885
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS HGF, HGFAC, MET ALDH1A1 1377/4885GAA 687/4885HSD17B10 2487/4885
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 ALDH1A1 1976/4885GAA 809/4885HSD17B10 1341/4885
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 ALDH1A1 1527/4885GAA 2956/4885HSD17B10 4374/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 ALDH1A1 2289/4885GAA 1095/4885HSD17B10 347/4885
US-12030878-B2 Substituted indole ether compounds TLR7, TLR8, TLR1 ALDH1A1 1044/4885GAA 3138/4885HSD17B10 3530/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ALDH1A1 4801/4885GAA 4463/4885HSD17B10 2971/4885
US-20090124609-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET ALDH1A1 156/4885GAA 79/4885HSD17B10 876/4885

“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.