SCHEMBL171650

SCHEMBL171650

C1=C(c2cccc(CSc3ccccc3)n2)CNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.37
HTR2A P28223 4/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL23554749 0.78 CHRM2 (0.40) HTR2AHTR2CHTR2BCHRM2CHRM3
SCHEMBL171143 0.78 CHRM2 (0.40) HTR2AHTR2CHTR2BCHRM2CHRM3
SCHEMBL171646 0.73 HTR2A (0.41) HTR2AHTR2CHTR2BCHRM2CHRM3
SCHEMBL4202253 0.72 L3MBTL1 (0.50) NISCHL3MBTL1KMT2APOLBCTDSP1
SCHEMBL169474 0.70 HTR2A (0.41) HTR2AHTR2CHTR2BCHRM2CHRM3
SCHEMBL171358 0.70 HTR2A (0.41) HTR2AHTR2CHTR2BCHRM2CHRM3
SCHEMBL4209925 0.70 L3MBTL1 (0.49) NISCHL3MBTL1KMT2APOLBCTDSP1
SCHEMBL4200877 0.70 L3MBTL1 (0.49) NISCHL3MBTL1KMT2APOLBCTDSP1
SCHEMBL13591416 0.68 HTR2A (0.37) HTR2AHTR2CHTR2BCHRM2CHRM3
SCHEMBL171123 0.67 HTR2A (0.39) HTR2AHTR2CHTR2BCHRM2CHRM3

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 NISCH 249/4885HTR2A 177/4885HTR2C 399/4885

“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.