SCHEMBL17367279

SCHEMBL17367279

O=C(/C=C/c1ccccc1)N1CCC2(CC1)OCc1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
AVPR1A P37288 5/20 0.51
HRH3 Q9Y5N1 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
AVPR2 P30518 1/20 0.47
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46
OXTR P30559 1/20 0.46

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
SCHEMBL15963358 0.91 AVPR1A (0.52) RAB9APOLBMEN1KMT2AAVPR1A
SCHEMBL15963390 0.91 AVPR1A (0.47) RAB9APOLBMEN1KMT2AAVPR1A
SCHEMBL15963264 0.88 MAPT (0.53) RAB9APOLBKMT2AAVPR1AHRH3
SCHEMBL15963377 0.88 GPR183 (0.48) RAB9APOLBMEN1KMT2AAVPR1A
SCHEMBL15963510 0.88 AVPR1A (0.52) MEN1KMT2AAVPR1AHRH3OXTR
SCHEMBL15963365 0.88 AVPR1A (0.55) RAB9APOLBAVPR1AHRH3
SCHEMBL15963375 0.88 AVPR1A (0.47) RAB9APOLBAVPR1AHRH3AVPR2
SCHEMBL15963395 0.87 HRH3 (0.45) RAB9APOLBMEN1KMT2AAVPR1A
SCHEMBL15963357 0.87 AVPR1A (0.48) RAB9APOLBMEN1KMT2AAVPR1A
SCHEMBL15963374 0.87 AVPR1A (0.46) RAB9APOLBAVPR1AHRH3AVPR2

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 2 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

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 RAB9A 1258/4885POLB 4865/4885MEN1 1216/4885
US-20170327512-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL AVPR2, AVPR1A, AVPR1B RAB9A 1258/4885POLB 4865/4885MEN1 1216/4885

“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.