SCHEMBL1678880

SCHEMBL1678880

CCCCCNCC1CC1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.69
GNAO1 P09471 2/20 0.69
GNAI1 P63096 2/20 0.69
SAT1 P21673 1/20 0.65
TSHR P16473 2/20 0.55
ALDH1A1 P00352 1/20 0.55
S1PR2 O95136 5/20 0.41
S1PR4 O95977 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR5 Q9H228 1/20 0.41
NAAA Q02083 1/20 0.40
FAAH O00519 1/20 0.40
EPHX1 P07099 3/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39

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
SCHEMBL7766302 1.00 GNAI3 (0.69) GNAI3GNAO1GNAI1SAT1TSHR
SCHEMBL17718455 0.98 GNAI3 (0.72) GNAI3GNAO1GNAI1SAT1TSHR
SCHEMBL7767956 0.98 GNAI3 (0.72) GNAI3GNAO1GNAI1SAT1TSHR
SCHEMBL19414059 0.98 GNAI3 (0.72) GNAI3GNAO1GNAI1SAT1TSHR
SCHEMBL11541786 0.98 GNAI3 (0.72) GNAI3GNAO1GNAI1SAT1TSHR
SCHEMBL1678448 0.98 GNAI3 (0.72) GNAI3GNAO1GNAI1SAT1TSHR
SCHEMBL11539085 0.98 GNAI3 (0.72) GNAI3GNAO1GNAI1SAT1TSHR
SCHEMBL1933069 0.98 GNAI3 (0.72) GNAI3GNAO1GNAI1SAT1TSHR
SCHEMBL23468518 0.96 GNAI3 (0.70) GNAI3GNAO1GNAI1SAT1TSHR
SCHEMBL23468533 0.96 GNAI3 (0.70) GNAI3GNAO1GNAI1SAT1TSHR

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000784-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2017-01-05 US disclosed
US-20160137607-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2016-05-19 US disclosed
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-9221760-B2 Autophagy inhibitors VAN ANDEL RESEARCH INSTITUTE (US) 2015-12-29 US disclosed
WO-2015085229-A1 AUTOPHAGY INHIBITORS VAN ANDEL RESEARCH INSTITUTE (US) 2015-06-11 WO disclosed
US-20140148451-A1 Autophagy Inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2014-05-29 US disclosed
EP-2262808-B1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2013-08-14 EP disclosed
US-20130172330-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-20130172330-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
CN-1068583-C N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL MYERS SQUIBB CO (US) 2001-07-18 CN disclosed
EP-0747346-B1 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL MYERS SQUIBB CO (US) 2000-02-16 EP disclosed
EP-0747346-B1 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL MYERS SQUIBB CO (US) 2000-02-16 EP disclosed
US-5889031-A CONTROLLING CIRCADIAN RHYTHMS BRISTOL-MYERS SQUIBB COMPNAY (US) 1999-03-30 US disclosed
US-5753709-A N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-19 US disclosed
US-5753709-A N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-19 US disclosed
EP-0747346-A3 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1997-11-05 EP disclosed
CN-1143628-A N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL MYERS SQUIBB CO (US) 1997-02-26 CN disclosed
EP-0747346-A2 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed
EP-0747346-A2 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 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 (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-20170000784-A1 Autophagy Inhibitors BRAF, HRAS, NRAS GNAI3 751/4885GNAO1 1908/4885GNAI1 669/4885
US-20140148451-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 GNAI3 556/4885GNAO1 2761/4885GNAI1 815/4885
US-20130172330-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 GNAI3 316/4885GNAO1 589/4885GNAI1 248/4885
US-20160137607-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 GNAI3 556/4885GNAO1 2761/4885GNAI1 815/4885

“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.