SCHEMBL171408

SCHEMBL171408

O=C(OCc1ccccc1)N1CC=C(c2cccc(Br)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.50
PRMT5 O14744 1/20 0.46
PRMT1 Q99873 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
KDR P35968 1/20 0.42
CYP2C19 P33261 1/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GRIN2B Q13224 1/20 0.41
DHFR P00374 1/20 0.41
GRM1 Q13255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL171256 0.87 GRM5 (0.50) GRM5PRMT5PRMT1MEN1KMT2A
SCHEMBL29574203 0.86 GRM5 (0.52) GRM5PRMT5PRMT1MEN1KMT2A
SCHEMBL24265543 0.86 GRM5 (0.52) GRM5PRMT5PRMT1MEN1KMT2A
SCHEMBL4010552 0.83 GRM5 (0.64) GRM5PRMT5PRMT1MEN1KMT2A
SCHEMBL14544110 0.82 MAP3K5 (0.52) GRM5PRMT5PRMT1MEN1KMT2A
SCHEMBL171389 0.82 GRM5 (0.49) GRM5PRMT5PRMT1MEN1KMT2A
SCHEMBL13490532 0.82 GRM5 (0.52) GRM5PRMT5PRMT1MEN1KMT2A
SCHEMBL8315932 0.81 MEN1 (0.57) GRM5PRMT1MEN1KMT2ANPSR1
SCHEMBL439379 0.81 ALDH1A1 (0.41) GRM5PRMT5MEN1KMT2ASMN1; SMN2
SCHEMBL30796964 0.81 GRM5 (0.53) GRM5PRMT5PRMT1MEN1KMT2A

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 19 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-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
EP-2426120-A1 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them Fujifilm Finechemicals Co., Ltd. (JP) 2012-03-07 EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 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
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO 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 (3 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 GRM5 340/4885PRMT5 496/4885PRMT1 1426/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 GRM5 357/4885PRMT5 555/4885PRMT1 1723/4885
US-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 GRM5 2811/4885PRMT5 1079/4885PRMT1 716/4885

“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.