SCHEMBL3787216

SCHEMBL3787216

O=C(c1cc[c]cc1)C1CNCCO1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.38
CTSC P53634 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL3742282 0.84 SSTR4 (0.45) SSTR4
SCHEMBL8292968 0.84 SSTR4 (0.45) SSTR4
Hydrochloric Acid SCHEMBL4031709 0.83 SSTR4 (0.44) SSTR4
SCHEMBL6015068 0.81 SSTR4 (0.37) SSTR4CTSC
SCHEMBL23303999 0.81 CHRNB2 (0.42) SSTR4
SCHEMBL6937389 0.81 SSTR4 (0.43) SSTR4
SCHEMBL21484361 0.81 SSTR4 (0.41) SSTR4
SCHEMBL5948132 0.81 SSTR4 (0.41) SSTR4
SCHEMBL7276192 0.79 CTSC (0.41) SSTR4CTSC
SCHEMBL1662913 0.79 ALDH1A1 (0.40) SSTR4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016004272-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2016-01-07 WO claimed
US-20160002225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE SCHRODINGER, LLC 2016-01-07 US claimed
EP-2252617-A1 6-ARYL-IMIDAZ0[L, 2-A]PYRAZINE DERIVATIVES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2010-11-24 EP claimed
US-20090221612-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF Kronos Bio, Inc. 2009-09-03 US claimed
WO-2009102468-A1 6-ARYL-IMIDAZ0[L, 2-A] PYRAZINE DERIVATIVES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2009-08-20 WO claimed
US-9580416-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-02-28 US disclosed
US-20160002225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE SCHRODINGER, LLC 2016-01-07 US disclosed
US-8697699-B2 Imidazopyrazine SYK inhibitors GILEAD CONNECTICUT, INC. (US) 2014-04-15 US disclosed
US-20130023499-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. (US) 2013-01-24 US disclosed
EP-2252617-A1 6-ARYL-IMIDAZ0[L, 2-A]PYRAZINE DERIVATIVES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2010-11-24 EP disclosed
US-20090221612-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF Kronos Bio, Inc. 2009-09-03 US disclosed
WO-2009102468-A1 6-ARYL-IMIDAZ0[L, 2-A] PYRAZINE DERIVATIVES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 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 (4 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-20160002225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK SSTR4 4773/4885CTSC 1872/4885DRD2 3983/4885
US-20130023499-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF SYK, MYD88, BTK SSTR4 2580/4885CTSC 2559/4885DRD2 3996/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ SSTR4 3698/4885CTSC 20/4885DRD2 4870/4885
US-20090221612-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF SYK, MYD88, BTK SSTR4 2580/4885CTSC 2559/4885DRD2 3996/4885

“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.