SCHEMBL171433

SCHEMBL171433

Sc1ccc(C2CCNCC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.39
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
USP7 Q93009 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NOTUM Q6P988 2/20 0.36
SYK P43405 1/20 0.35
HPGDS O60760 2/20 0.35
TRPV4 Q9HBA0 1/20 0.34
HTR2C P28335 3/20 0.34
MKNK1 Q9BUB5 3/20 0.34
MKNK2 Q9HBH9 3/20 0.34

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
SCHEMBL2212335 0.86 NOTUM (0.43) MEN1KMT2ANOTUMTRPV4
SCHEMBL22007129 0.81 L3MBTL1 (0.41) KMT2ANOTUMTRPV4
SCHEMBL31127661 0.78 OPRM1 (0.41) HRH4SLC18A3SIGMAR1HRH3USP7
SCHEMBL3063348 0.78 OPRM1 (0.41) HRH4SLC18A3SIGMAR1HRH3USP7
SCHEMBL31737023 0.78 SLC18A3 (0.47) HRH4SLC18A3SIGMAR1HRH3NOTUM
SCHEMBL29400886 0.78 USP7 (0.50) HRH4SLC18A3SIGMAR1HRH3USP7
SCHEMBL2173522 0.78 MKNK1 (0.46) HRH4SLC18A3SIGMAR1HRH3USP7
SCHEMBL18740585 0.78 USP7 (0.50) HRH4SLC18A3SIGMAR1HRH3USP7
SCHEMBL2885151 0.78 HTR3A (0.46) HRH4SLC18A3SIGMAR1KMT2A
SCHEMBL171235 0.78 HRH4 (0.46) HRH4SLC18A3SIGMAR1HRH3USP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426120-A1 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them Fujifilm Finechemicals Co., Ltd. (JP) 2012-03-07 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 HRH4 2/4885SLC18A3 3576/4885SIGMAR1 1466/4885

“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.