SCHEMBL15955802

SCHEMBL15955802

CC(=O)NNC(=O)c1ccc(C#N)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 18/20 0.54
S1PR1 P21453 10/20 0.46
S1PR4 O95977 2/20 0.46
S1PR2 O95136 1/20 0.46
AR P10275 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL15920701 0.82 S1PR3 (0.58) S1PR3S1PR1S1PR4S1PR2AR
SCHEMBL30737737 0.80 S1PR3 (0.51) S1PR3S1PR1S1PR4S1PR2AR
SCHEMBL2369495 0.80 S1PR3 (0.51) S1PR3S1PR1S1PR4S1PR2AR
SCHEMBL3615933 0.79 KMT2A (0.59) S1PR3
SCHEMBL22099996 0.78 S1PR3 (0.54) S1PR3S1PR1S1PR4S1PR2AR
SCHEMBL996704 0.76 MRGPRX4 (0.56) S1PR3
SCHEMBL16961084 0.76 S1PR3 (0.47) S1PR3S1PR1S1PR4S1PR2AR
SCHEMBL536163 0.76 S1PR3 (0.51) S1PR3S1PR1ARTP53
SCHEMBL7829370 0.76 CHRNA1 (0.48) TP53
SCHEMBL2767509 0.75 S1PR3 (0.50) S1PR3S1PR1S1PR4S1PR2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327512-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL SCRIPPS RESEARCH INST (US) 2017-11-16 US disclosed
US-20170327512-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL SCRIPPS RESEARCH INST (US) 2017-11-16 US disclosed
US-20150376198-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-31 US disclosed
US-20150376198-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-31 US disclosed
EP-2956441-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL The Scripps Research Institute (US) 2015-12-23 EP disclosed
WO-2014127350-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL THE SCRIPPS RESEARCH INSTITUTE (US) 2014-08-21 WO 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-20150376198-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL AVPR2, AVPR1A, AVPR1B S1PR3 182/4885S1PR1 216/4885S1PR4 225/4885
US-20170327512-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL AVPR2, AVPR1A, AVPR1B S1PR3 182/4885S1PR1 216/4885S1PR4 225/4885

“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.