SCHEMBL2222291

SCHEMBL2222291

c1cc2c3c([nH]c2cn1)CCCC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
CHUK O15111 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
IKBKB O14920 1/20 0.46
AURKA O14965 1/20 0.46
PIM1 P11309 1/20 0.46
TOP1 P11387 1/20 0.46
GABRA1 P14867 1/20 0.46
IDO1 P14902 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46

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
SCHEMBL14339454 0.96 MAPT (0.47) SMN1; SMN2CHUKKDM4EALDH1A1HPGD
SCHEMBL2222493 0.86 MAPT (0.47) SMN1; SMN2KDM4EALDH1A1HPGDMAPT
SCHEMBL998491 0.78 NISCH (0.61) SMN1; SMN2CHUKKDM4EALDH1A1HPGD
SCHEMBL13463193 0.76 CHUK (0.43) SMN1; SMN2CHUKKDM4EALDH1A1HPGD
SCHEMBL24101498 0.76 HTR1D (0.40) SMN1; SMN2CHUKKDM4EALDH1A1HPGD
SCHEMBL24101500 0.76 HTR1D (0.40) SMN1; SMN2CHUKKDM4EALDH1A1HPGD
SCHEMBL24101860 0.76 HTR1D (0.40) SMN1; SMN2CHUKKDM4EALDH1A1HPGD
SCHEMBL24408185 0.74 NR2E1 (0.64) SMN1; SMN2CHUKKDM4EALDH1A1HPGD
SCHEMBL3715769 0.74 CHRNA7 (0.64) KDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL30160092 0.73 KDM4E (0.73) SMN1; SMN2KDM4EALDH1A1MAPTMEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0217737-B1 TETRAHYDRO-BETA-CARBOLINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1991-08-14 EP claimed
US-4855295-A Tetrahydro-beta-carbolines, and their use as drugs SCHERING AKTIENGESELLSCHAFT (DE) 1989-08-08 US claimed
JP-62181278-A None JP disclosed
US-20180148446-A1 PYRROLO [2,3-c] PYRIDINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE TAKEDA PHARMACEUTICALS CO (JP) 2018-05-31 US disclosed
US-20180148446-A1 PYRROLO [2,3-c] PYRIDINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE TAKEDA PHARMACEUTICALS CO (JP) 2018-05-31 US disclosed
WO-2011084439-A1 TETRAHYDROCARBOLINE DERIVATIVES AS EG5 INHIBITORS SANOFI (FR) 2011-07-14 WO disclosed
US-20070293532-A1 Pyrrolo [2,3-C] Pyridine Compound, Process for Producing the Same, and Use TAKEDA PHARMACEUTICAL COMPAN6Y LIMITED (JP) 2007-12-20 US disclosed
EP-1787991-A1 PYRROLOÝ2,3-c¨PYRIDINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2007-05-23 EP disclosed
EP-0588500-B1 3-Oxadiazolyl-1,6-naphthyridine derivatives with affinity for benzodiazepine receptors DAINIPPON PHARMACEUTICAL CO (JP) 1998-11-04 EP disclosed
US-5550118-A THROMBOXANE SYNTHETASE INHIBITORS, ANTICOAGULANTS ELI LILLY AND COMPANY (US) 1996-08-27 US disclosed
US-5484793-A NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS; ALZHEIMER*S DISEASE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1996-01-16 US disclosed
EP-0665227-A1 Polyhydronorharman synthase inhibitors ELI LILLY AND COMPANY (US) 1995-08-02 EP disclosed
EP-0217737-B1 TETRAHYDRO-BETA-CARBOLINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1991-08-14 EP disclosed
US-4855295-A Tetrahydro-beta-carbolines, and their use as drugs SCHERING AKTIENGESELLSCHAFT (DE) 1989-08-08 US disclosed
US-4855295-A Tetrahydro-beta-carbolines, and their use as drugs SCHERING AKTIENGESELLSCHAFT (DE) 1989-08-08 US disclosed
JP-S62181278-A 5, 6, 7, 8-TETRAHYDRO-BETA-CARBOLINE DERIVATIVE AND DRUG CONTAINING THE SAME SCHERING AG 1987-08-08 JP disclosed
EP-0217737-A2 Tetrahydro-beta-carbolines, process for their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1987-04-08 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 (2 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-20180148446-A1 PYRROLO [2,3-c] PYRIDINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE PGA5, ATP6AP1, PPA1 SMN1; SMN2 3534/4885CHUK 826/4885KDM4E 686/4885
US-20070293532-A1 Pyrrolo [2,3-C] Pyridine Compound, Process for Producing the Same, and Use PGA5, ATP6AP1, PPA1 SMN1; SMN2 3534/4885CHUK 826/4885KDM4E 686/4885

“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.