SCHEMBL12969

SCHEMBL12969

Cc1cccc(C(=O)N2CCCCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 1.00
FAAH O00519 1/20 0.68
EPHX2 P34913 1/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
GABRD O14764 1/20 0.61
GABRA1 P14867 1/20 0.61
GABRB1 P18505 1/20 0.61
GABRA5 P31644 1/20 0.61
GABRA3 P34903 1/20 0.61
GABRA2 P47869 1/20 0.61
GABRB2 P47870 1/20 0.61
GABRA4 P48169 1/20 0.61
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.60
HTT P42858 2/20 0.59
ALDH1A1 P00352 1/20 0.59
MEN1 O00255 1/20 0.59
GAA P10253 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL10174633 1.00 HPGD (1.00) HPGDFAAHEPHX2NPC1RAB9A
SCHEMBL1753626 0.98 HPGD (0.97) HPGDFAAHEPHX2NPC1RAB9A
SCHEMBL2667152 0.95 HPGD (0.90) HPGDFAAHEPHX2GABRDGABRA1
SCHEMBL7130857 0.91 HPGD (0.83) HPGDGABRDGABRA1GABRB1GABRA5
SCHEMBL14238822 0.91 HPGD (0.83) HPGDGABRDGABRA1GABRB1GABRA5
SCHEMBL7127339 0.87 HPGD (0.77) HPGDNPC1RAB9ALMNAPOLB
SCHEMBL10862335 0.87 HPGD (0.76) HPGDFAAHEPHX2RAB9AHTT
SCHEMBL10720984 0.85 HPGD (0.76) HPGDLMNAPOLBHTTALDH1A1
SCHEMBL8360507 0.85 HPGD (0.73) HPGDGABRDGABRA1GABRB1GABRA5
SCHEMBL12563716 0.85 HPGD (0.73) HPGDNPC1GABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
EP-4026829-A1 PROCESS FOR PREPARING N-[[5-(3-CHLOROPHENYL)-3-HYDROXY-2-PYRIDINYL]CARBONYL]-GLYCINE FROM 5-(3-CHLOROPHENYL)-3-HYDROXY-2-PYRIDINE CARBOXYLIC ACID Akebia Therapeutics Inc. (US) 2022-07-13 EP disclosed
WO-2021068952-A1 BENZODIHYDROPYRAN COMPOUND TARGETING ALDO-KETO REDUCTASE 1C3 南京明德新药研发有限公司 2021-04-15 WO disclosed
EP-3683209-A1 PROCESS FOR PREPARING [(5-(3-CHLOROPHENYL)-3-HYDROXYPYRIDINE-2-CARBONYL)-AMINO]ACETIC ACID FROM 5-((3-CHLOROPHENYL)-3-CHLORO-PYRIDIN-2-YL)-NITRILE, AND PROCESS FOR PREPARING 5-((HALOPHENYL)-3-HALO-PYRIDIN-2-YL)-NITRILE DERIVATIVES Akebia Therapeutics Inc. (US) 2020-07-22 EP disclosed
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 US disclosed
WO-2019204781-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE DESIGN THERAPEUTICS INC. (US) 2019-10-24 WO disclosed
EP-3041842-B1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS INC (US) 2019-10-23 EP disclosed
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2019-09-19 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 US disclosed
US-20180072672-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-15 US disclosed
US-20070259907-A1 ARYL AND ARYLALKYLENYL SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2007-11-08 US disclosed
US-20070219228-A1 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-20 US disclosed
US-20070219228-A1 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-20 US disclosed
EP-1534715-B1 FUROPYRIDINE AND FUROPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORP (US) 2007-08-15 EP disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
WO-2007075468-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZONAPHTHYRIDINES, AND IMIDAZOPYRIDINES, COMPOSITIONS, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-07-05 WO disclosed
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
US-4234484-A FROM ALKOXYLATED CYCLIC AMIDES USING AS A CATALYST A QUATERNARY AMMONIUM OR ALKALI METAL SALT OF TETRAFLUOROBORIC OR HEXAFLUOROPHOSPHORIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-18 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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A HPGD 140/4885FAAH 160/4885EPHX2 1296/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A HPGD 140/4885FAAH 160/4885EPHX2 1296/4885
US-20070259907-A1 ARYL AND ARYLALKYLENYL SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES IL2, TSLP, IFNG HPGD 773/4885FAAH 3269/4885EPHX2 1520/4885
US-20180072672-A1 BIPYRIDYL COMPOUND CBR1, NR0B2, ERBB2 HPGD 959/4885FAAH 4006/4885EPHX2 2650/4885
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 HPGD 477/4885FAAH 163/4885EPHX2 1157/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A HPGD 140/4885FAAH 160/4885EPHX2 1296/4885
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS HPGD 1498/4885FAAH 627/4885EPHX2 2228/4885
US-20070219228-A1 Aryl substituted imidazonaphthyridines IL2, IRF3, EIF2AK2 HPGD 449/4885FAAH 4375/4885EPHX2 3465/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A HPGD 140/4885FAAH 160/4885EPHX2 1296/4885

“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.