SCHEMBL1678448

SCHEMBL1678448

CCCCCCNCC1CC1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.72
GNAO1 P09471 2/20 0.72
GNAI1 P63096 2/20 0.72
SAT1 P21673 1/20 0.63
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
S1PR2 O95136 5/20 0.44
S1PR4 O95977 5/20 0.44
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 5/20 0.44
S1PR5 Q9H228 1/20 0.44
EPHX1 P07099 3/20 0.43
NAAA Q02083 1/20 0.43
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
GBA1 P04062 3/20 0.42

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
SCHEMBL7767956 1.00 GNAI3 (0.72) GNAI3GNAO1GNAI1SAT1ALDH1A1
SCHEMBL1933069 1.00 GNAI3 (0.72) GNAI3GNAO1GNAI1SAT1ALDH1A1
SCHEMBL11539085 1.00 GNAI3 (0.72) GNAI3GNAO1GNAI1SAT1ALDH1A1
SCHEMBL19414059 1.00 GNAI3 (0.72) GNAI3GNAO1GNAI1SAT1ALDH1A1
SCHEMBL17718455 1.00 GNAI3 (0.72) GNAI3GNAO1GNAI1SAT1ALDH1A1
SCHEMBL11541786 1.00 GNAI3 (0.72) GNAI3GNAO1GNAI1SAT1ALDH1A1
SCHEMBL23468518 0.98 GNAI3 (0.70) GNAI3GNAO1GNAI1SAT1ALDH1A1
SCHEMBL23468533 0.98 GNAI3 (0.70) GNAI3GNAO1GNAI1SAT1ALDH1A1
SCHEMBL1678880 0.98 GNAI3 (0.69) GNAI3GNAO1GNAI1SAT1ALDH1A1
SCHEMBL7766302 0.98 GNAI3 (0.69) GNAI3GNAO1GNAI1SAT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9644000-B2 V1a receptor agonists FERRING B.V. (NL) 2017-05-09 US disclosed
US-9388214-B2 V1A receptor agonists FERRING B.V. (NL) 2016-07-12 US disclosed
US-20150126432-A1 V1a Receptor Agonists OCELOT BIO, INC. 2015-05-07 US disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 EP 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-20150126432-A1 V1a Receptor Agonists AVPR2, AVPR1A, AVPR1B GNAI3 759/4885GNAO1 527/4885GNAI1 520/4885
US-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI GNAI3 1878/4885GNAO1 2401/4885GNAI1 1799/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 GNAI3 2801/4885GNAO1 735/4885GNAI1 2632/4885

“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.