SCHEMBL4547898

SCHEMBL4547898

CC(C)c1cccc(N2CCOCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.42
PIK3CD O00329 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PDE10A Q9Y233 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CRHBP P24387 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
SCHEMBL18270122 0.88 HTR3A (0.50) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL4547896 0.84 TRPV3 (0.47) GAAKDM4EPDE10AACACBHTR3E
SCHEMBL4547904 0.84 TRPV3 (0.43) GAAKDM4EALDH1A1KMT2AMEN1
SCHEMBL8274280 0.83 TRPV3 (0.48) GAAKDM4EPDE10AACACBHTR3E
SCHEMBL23006122 0.82 KMT2A (0.42) GAAHTTKDM4EALDH1A1HPGD
SCHEMBL6843345 0.82 GAA (0.59) GAAHTTKDM4EALDH1A1HPGD
SCHEMBL20098858 0.81 ACACB (0.36) GAAKDM4EPDE10ACNR2ACACB
SCHEMBL8274290 0.81 HTR3A (0.62) KDM4EALDH1A1HTR3EHTR3BHTR3A
SCHEMBL15341818 0.80 HRH3 (0.56) KDM4EALDH1A1MAPTACACBHTR3E
SCHEMBL5222665 0.80 HTR3E (0.58) HTTKDM4EALDH1A1MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145003-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-11 US disclosed
US-11066398-B2 Small molecule c-Myc inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2021-07-20 US disclosed
WO-2021030556-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
US-9834513-B2 Benzylamine derivatives Kalvista Pharmceuticals Limited (GB) 2017-12-05 US disclosed
US-9834513-B2 Benzylamine derivatives Kalvista Pharmceuticals Limited (GB) 2017-12-05 US disclosed
US-20170253561-A1 Benzylamine Derivatives KALVISTA PHARMACEUTICALS LTD (GB) 2017-09-07 US disclosed
US-20170253561-A1 Benzylamine Derivatives KALVISTA PHARMACEUTICALS LTD (GB) 2017-09-07 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-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 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 (9 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-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT6 GAA 2015/4885HTT 692/4885KDM4E 1001/4885
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GAA 1284/4885HTT 530/4885KDM4E 2073/4885
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 GAA 809/4885HTT 269/4885KDM4E 1577/4885
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 GAA 363/4885HTT 845/4885KDM4E 1352/4885
US-20230145003-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB GAA 9/4885HTT 234/4885KDM4E 1848/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GAA 1031/4885HTT 223/4885KDM4E 564/4885
US-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E GAA 1558/4885HTT 3301/4885KDM4E 3158/4885
US-11066398-B2 Small molecule c-Myc inhibitors MYC, MYCBP, MYCBP2 GAA 3195/4885HTT 763/4885KDM4E 931/4885
US-20170253561-A1 Benzylamine Derivatives BDKRB1, BDKRB2, KLKB1 GAA 519/4885HTT 3042/4885KDM4E 577/4885

“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.