SCHEMBL171553

SCHEMBL171553

CN(C)OCc1ccc(C2CCCNC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.41
CHRM2 P08172 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRM1 P11229 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
NTRK1 P04629 2/20 0.37
CSF1R P07333 2/20 0.37
NTRK2 Q16620 2/20 0.37

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
SCHEMBL16565671 0.76 CHRM2 (0.42) CHRM2CHRM3
SCHEMBL171592 0.75 RAB9A (0.43) CHRM2CHRM3
SCHEMBL13490652 0.74 CHRM2 (0.45) CHRM2CHRM3
SCHEMBL13490587 0.73 CHEK1 (0.41)
SCHEMBL13490602 0.73 HTR2A (0.43) CHRM2CHRM3
SCHEMBL171124 0.73 CHRM2 (0.45) CHRM2CHRM3
SCHEMBL13490731 0.72 ALDH1A1 (0.47)
SCHEMBL171398 0.72 USP7 (0.42) PRMT5CHRM2CHRM3
SCHEMBL171626 0.71 CHEK1 (0.47) CHRM2CHRM3
SCHEMBL13490414 0.71 MAPK1 (0.46)

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 PRMT5 496/4885CHRM2 629/4885CHRM3 461/4885

“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.