SCHEMBL426992

SCHEMBL426992

Cc1ccc2c(c1)NCC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.40
GAA P10253 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
AR P10275 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IGF1R P08069 1/20 0.36
MMP12 P39900 1/20 0.36
KDM4E B2RXH2 2/20 0.35
LCK P06239 2/20 0.35
KIT P10721 2/20 0.35
KDR P35968 2/20 0.35
SRC P12931 1/20 0.35
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1607884 0.84 CYP1A2 (0.41) HTR5AGAAMAPTALDH1A1HSD17B10
SCHEMBL428286 0.81 RARB (0.50) HTR5AGAAMAPTALDH1A1HSD17B10
SCHEMBL15811809 0.78 HTR2A (0.49) HTR5AGAAMAPTARIGF1R
SCHEMBL9940683 0.78 HTR5A (0.39) HTR5AGAAMAPTALDH1A1HSD17B10
SCHEMBL31336024 0.78 MRGPRX2 (0.37) ALDH1A1ARIGF1RLCKKIT
SCHEMBL4720672 0.78 AR (0.39) HTR5AMAPTARIGF1RLCK
SCHEMBL10828177 0.78 MRGPRX2 (0.37) ALDH1A1ARIGF1RLCKKIT
SCHEMBL2123632 0.78 AR (0.36) GAAMAPTARIGF1RKDM4E
SCHEMBL31158683 0.78 AR (0.39) HTR5AMAPTARIGF1RLCK
SCHEMBL1612518 0.78 CMA1 (0.42) GAAARIGF1RLCKKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023237759-A1 DIHYDRO[1,8]NAPHTHYRIDIN-7-ONE AND PYRIDO[3,2-B][1,4]OXAZIN-3-ONE FOR USE IN TREATING CANCER, AND METASTASES IN PARTICULAR ANAGENESIS BIOTECHNOLOGIES (FR) 2023-12-14 WO disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-20180065959-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2018-03-08 US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-9399648-B2 Isothiazolopyridinones useful for the treatment of (inter alia) cystic fibrosis VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-07-26 US disclosed
EP-2187884-B1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS VERTEX PHARMA (US) 2016-03-30 EP disclosed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-9090619-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-07-28 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-7507748-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-03-24 US disclosed
US-7507748-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-03-24 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-7307088-B2 Substituted anthranilic amide derivatives and methods of use AMGEN INC. (US) 2007-12-11 US disclosed
US-7307088-B2 Substituted anthranilic amide derivatives and methods of use AMGEN INC. (US) 2007-12-11 US disclosed
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 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 (5 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-20180065959-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY PC, BAD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HTR5A 1593/4885GAA 974/4885MAPT 1868/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HTR5A 3881/4885GAA 454/4885MAPT 4269/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 HTR5A 2206/4885GAA 969/4885MAPT 4731/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 HTR5A 4282/4885GAA 733/4885MAPT 4775/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 HTR5A 299/4885GAA 1096/4885MAPT 3731/4885

“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.