SCHEMBL171541

SCHEMBL171541

COc1nc(C2CCN(C(=O)OCc3ccccc3)CC2)ccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TRPC3 Q13507 2/20 0.52
TRPC7 Q9HCX4 2/20 0.52
CYP2C19 P33261 1/20 0.52
PRMT5 O14744 1/20 0.51
HTT P42858 1/20 0.50
PDE4B Q07343 1/20 0.48
GRIN2B Q13224 6/20 0.48
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
JAK2 O60674 2/20 0.45

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
SCHEMBL171313 0.88 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ATRPC3TRPC7
SCHEMBL13490725 0.82 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ATRPC3TRPC7
SCHEMBL13490727 0.81 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ATRPC3TRPC7
SCHEMBL171472 0.80 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ATRPC3TRPC7
SCHEMBL171125 0.77 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ATRPC3TRPC7
SCHEMBL4533001 0.77 GRIN2B (0.55) SMN1; SMN2NPC1RAB9ATRPC3TRPC7
SCHEMBL13490461 0.76 GRM5 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19PRMT5
SCHEMBL171077 0.76 GRIN2B (0.64) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL13490465 0.76 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ATRPC3TRPC7
SCHEMBL12210756 0.76 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ATRPC3TRPC7

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 9 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
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-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 SMN1; SMN2 4714/4885NPC1 4762/4885RAB9A 1883/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 SMN1; SMN2 4779/4885NPC1 4751/4885RAB9A 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.