SCHEMBL15955650

SCHEMBL15955650

CCN(C(=O)N1CCNCC1)c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.48
TNKS2 Q9H2K2 3/20 0.48
OPRM1 P35372 3/20 0.48
OPRD1 P41143 2/20 0.48
HTT P42858 1/20 0.46
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MLYCD O95822 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL16163652 0.89 SMN1; SMN2 (0.44) TNKSTNKS2OPRM1OPRD1SMN1; SMN2
SCHEMBL29472505 0.86 NCOA1 (0.52) TNKSTNKS2HTTNCOA1NCOA3
SCHEMBL19581218 0.85 TNKS (0.52) TNKSTNKS2OPRM1HTTNCOA1
SCHEMBL15955695 0.82 TNKS (0.47) TNKSTNKS2OPRM1HTTNCOA1
Hydrochloric Acid SCHEMBL20236145 0.80 TAS2R14 (0.46) TNKSTNKS2SMN1; SMN2POLB
SCHEMBL20236710 0.80 CA1 (0.46) OPRM1OPRD1SMN1; SMN2POLBALDH1A1
SCHEMBL15957003 0.80 ALDH1A1 (0.54) TNKSTNKS2HTTSMN1; SMN2MLYCD
SCHEMBL15962948 0.80 ALDH1A1 (0.59) TNKSTNKS2ALDH1A1
Hydrochloric Acid SCHEMBL22217671 0.79 CA1 (0.45) OPRM1OPRD1SMN1; SMN2POLBALDH1A1
SCHEMBL27359509 0.79 TNKS (0.69) TNKSTNKS2SMN1; SMN2POLBALDH1A1

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 4 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-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 TNKS 3074/4885TNKS2 3264/4885OPRM1 151/4885
US-20170327512-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL AVPR2, AVPR1A, AVPR1B TNKS 3074/4885TNKS2 3264/4885OPRM1 151/4885

“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.