SCHEMBL2628443

SCHEMBL2628443

CN1Cc2cnn(C)c2Nc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.58
AVPR1A P37288 17/20 0.47
OXTR P30559 8/20 0.47
AVPR2 P30518 4/20 0.47

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
SCHEMBL16300951 0.83 TSPO (0.48) TSPOAVPR1AOXTRAVPR2
SCHEMBL21396930 0.83 TSPO (0.54) TSPOAVPR1AOXTRAVPR2
SCHEMBL2616342 0.83 TSPO (0.54) TSPOAVPR1AOXTRAVPR2
SCHEMBL21378863 0.82 TSPO (0.61) TSPOAVPR1AOXTRAVPR2
SCHEMBL5548432 0.82 TSPO (0.56) TSPOAVPR1AOXTRAVPR2
SCHEMBL16300955 0.81 TSPO (0.41) TSPOAVPR1AOXTRAVPR2
SCHEMBL21397115 0.81 TSPO (0.55) TSPOAVPR1AOXTRAVPR2
SCHEMBL16300956 0.80 LMNA (0.41) TSPOAVPR1AOXTRAVPR2
SCHEMBL16300966 0.80 TSPO (0.41) TSPOAVPR1AOXTRAVPR2
SCHEMBL20276925 0.78 AVPR1A (0.68) TSPOAVPR1AOXTRAVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018107216-A1 NON-PEPTIDE OXYTOCIN RECEPTOR AGONISTS THE UNIVERSITY OF SYDNEY (AU) 2018-06-21 WO disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 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-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B TSPO 1733/4885AVPR1A 1/4885OXTR 8/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B TSPO 1733/4885AVPR1A 1/4885OXTR 8/4885

“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.