SCHEMBL13490451

SCHEMBL13490451

c1ccc(-c2cccc(C3CCNCC3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
RAB9A P51151 1/20 0.55
SLC18A3 Q16572 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HPGDS O60760 2/20 0.48
GABRA1 P14867 7/20 0.43
GABRB2 P47870 6/20 0.43
KCNH2 Q12809 2/20 0.43
ASIC3 Q9UHC3 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
GABRG2 P18507 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
SCHEMBL13959317 0.77 MEN1 (0.53) MEN1KMT2AHTR2CPIM1PIM3
SCHEMBL4457904 0.77 PIM1 (0.44) MEN1KMT2AGABRA1HTR2CPIM1
SCHEMBL2297392 0.76 HPGDS (0.78) MEN1KMT2ARAB9ASLC18A3SIGMAR1
SCHEMBL13295147 0.76 HPGDS (0.48) MEN1KMT2ASLC18A3SIGMAR1HPGDS
SCHEMBL13294661 0.76 HPGDS (0.51) MEN1KMT2ARAB9ASLC18A3SIGMAR1
SCHEMBL24338764 0.75 MEN1 (0.54) MEN1KMT2ARAB9ASLC18A3SIGMAR1
SCHEMBL12093290 0.75 HTR2C (0.47) MEN1KMT2ASLC18A3SIGMAR1HTR2C
SCHEMBL12975520 0.75 MEN1 (0.42) MEN1KMT2ASLC18A3SIGMAR1HTR2C
SCHEMBL171452 0.75 HRH4 (0.50) MEN1KMT2ASLC18A3SIGMAR1HTR2C
SCHEMBL29554902 0.75 USP7 (0.45) MEN1KMT2ASLC18A3SIGMAR1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 (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-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them QDPR, HRH4, HRH2 MEN1 4011/4885KMT2A 2821/4885RAB9A 1883/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 MEN1 4011/4885KMT2A 2707/4885RAB9A 1915/4885

“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.