SCHEMBL171238

SCHEMBL171238

C1=C(c2ccc(-c3ccccc3)cn2)CCNC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.62
HTR2C P28335 8/20 0.60
QDPR P09417 2/20 0.46
HTR6 P50406 2/20 0.46
HTR7 P34969 1/20 0.46
HTR2A P28223 1/20 0.46
PRMT5 O14744 1/20 0.45
WNT3A P56704 1/20 0.43
HPGDS O60760 1/20 0.41

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
SCHEMBL13490517 0.87 SIGMAR1 (0.66) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL171420 0.87 HTR2C (0.66) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL1198522 0.84 SIGMAR1 (0.47) SIGMAR1HTR2CQDPRPRMT5WNT3A
Hydrochloric Acid SCHEMBL18113487 0.82 HTR2C (0.49) SIGMAR1HTR2CQDPRPRMT5WNT3A
SCHEMBL3899585 0.82 SIGMAR1 (0.92) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL7838514 0.81 SIGMAR1 (0.70) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL415545 0.78 SIGMAR1 (1.00) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL171607 0.76 HTR2C (0.59) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL10068060 0.76 QDPR (0.59) SIGMAR1HTR2CQDPRPRMT5WNT3A
SCHEMBL2174403 0.76 HRH3 (0.46) SIGMAR1HTR2CQDPRHTR6HTR7

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 SIGMAR1 1466/4885HTR2C 399/4885QDPR 1/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 SIGMAR1 1270/4885HTR2C 391/4885QDPR 1/4885

“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.