SCHEMBL17367287

SCHEMBL17367287

COc1ccc(-n2c(C)nnc2-c2ccc(CN)c(C)c2)cn1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OXTR P30559 20/20 0.69
AVPR1A P37288 12/20 0.56
AVPR2 P30518 3/20 0.56

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
SCHEMBL8282112 0.82 OXTR (1.00) OXTRAVPR1AAVPR2
SCHEMBL6511017 0.76 OXTR (0.80) OXTRAVPR1AAVPR2
SCHEMBL15840847 0.75 OXTR (0.60) OXTRAVPR1AAVPR2
SCHEMBL30231458 0.75 OXTR (0.60) OXTRAVPR1AAVPR2
SCHEMBL930506 0.72 OXTR (0.81) OXTRAVPR1AAVPR2
SCHEMBL930980 0.71 OXTR (0.65) OXTRAVPR1AAVPR2
SCHEMBL8282084 0.70 OXTR (0.81) OXTRAVPR1AAVPR2
SCHEMBL931581 0.69 OXTR (0.71) OXTRAVPR1A
SCHEMBL8281027 0.69 OXTR (1.00) OXTRAVPR1AAVPR2
SCHEMBL8281669 0.68 OXTR (0.77) OXTRAVPR1AAVPR2

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-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

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 OXTR 6/4885AVPR1A 2/4885AVPR2 1/4885
US-20170327512-A1 MODULATORS OF VASOPRESSIN RECEPTORS WITH THERAPEUTIC POTENTIAL AVPR2, AVPR1A, AVPR1B OXTR 6/4885AVPR1A 2/4885AVPR2 1/4885

“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.