SCHEMBL171560

SCHEMBL171560

O=C(O)c1ccc(C2=CCNCC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HA1 P13674 3/20 0.54
P4HTM Q9NXG6 2/20 0.54
LDHA P00338 2/20 0.47
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44
SIGMAR1 Q99720 2/20 0.44

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
SCHEMBL171555 0.87 NNMT (0.42) P4HA1P4HTMSIGMAR1WNT3AHTR2C
SCHEMBL22047337 0.83 SPR (0.47) GABRA5WNT3AQDPR
SCHEMBL31701883 0.83 WNT3A (0.42) P4HA1P4HTMSIGMAR1TSHRWNT3A
SCHEMBL29531318 0.81 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30182736 0.79 HCAR3 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10068060 0.78 QDPR (0.59) SIGMAR1WNT3AHTR2CQDPRHRH3
SCHEMBL4746022 0.78 QDPR (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL171474 0.77 P4HA1 (0.54) P4HA1P4HTMLDHAGABRPGABRD
SCHEMBL5225955 0.76 HDAC1 (0.51)
SCHEMBL13490633 0.75 SIGMAR1 (0.44) SIGMAR1WNT3AHTR2CQDPRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260014147-A1 STAT6 DEGRADERS GILEAD SCIENCES INC (US) 2026-01-15 US disclosed
US-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 US disclosed
US-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 US disclosed
EP-1799667-B1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2013-03-20 EP disclosed
EP-2426120-A1 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them Fujifilm Finechemicals Co., Ltd. (JP) 2012-03-07 EP disclosed
US-7777036-B2 Heterocyclic derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2010-08-17 US disclosed
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 US disclosed
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-20080015230-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-01-17 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 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 (4 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-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them QDPR, HRH4, HRH2 P4HA1 845/4885P4HTM 151/4885LDHA 2629/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 P4HA1 625/4885P4HTM 131/4885LDHA 2600/4885
US-20080015230-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ARG2, NR1H2, NR1H3 P4HA1 2964/4885P4HTM 2414/4885LDHA 517/4885
US-20260014147-A1 STAT6 DEGRADERS STAT6, NCOR1, CBR1 P4HA1 112/4885P4HTM 270/4885LDHA 2812/4885

“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.