SCHEMBL171077

SCHEMBL171077

O=C(OCc1ccccc1)N1CCC(c2ccccn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 12/20 0.64
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
CYP2C19 P33261 1/20 0.60
CYP2D6 P10635 4/20 0.56
CYP2C9 P11712 4/20 0.56
CYP3A4 P08684 3/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
JAK2 O60674 2/20 0.53
JAK1 P23458 2/20 0.53
TYK2 P29597 2/20 0.53
JAK3 P52333 2/20 0.53
FAAH O00519 1/20 0.52
HTT P42858 1/20 0.51

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
SCHEMBL19404912 0.93 GRIN2B (0.58) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL22059523 0.87 GRIN2B (0.54) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13490506 0.87 JAK2 (0.55) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL171472 0.84 SMN1; SMN2 (0.58) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL171605 0.83 SMN1; SMN2 (0.58) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL169370 0.83 SMN1; SMN2 (0.57) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL171583 0.83 SMN1; SMN2 (0.57) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4533001 0.83 GRIN2B (0.55) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16992338 0.82 SMN1; SMN2 (0.58) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13490558 0.82 SMN1; SMN2 (0.59) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19

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 GRIN2B 794/4885SMN1; SMN2 4714/4885NPC1 4762/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 GRIN2B 973/4885SMN1; SMN2 4779/4885NPC1 4751/4885

“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.