SCHEMBL2616342

SCHEMBL2616342

Cn1ncc2c1Nc1ccccc1N(C(C)(C)C)C2

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.54
AVPR1A P37288 17/20 0.45
OXTR P30559 8/20 0.45
AVPR2 P30518 4/20 0.45

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
SCHEMBL2616348 0.83 TSPO (0.39) TSPOAVPR1AOXTRAVPR2
SCHEMBL2616338 0.83 TSPO (0.43) TSPOAVPR1AOXTRAVPR2
SCHEMBL2628443 0.83 TSPO (0.58) TSPOAVPR1AOXTRAVPR2
SCHEMBL2616346 0.82 TSPO (0.38) TSPOAVPR1AOXTRAVPR2
SCHEMBL21396930 0.78 TSPO (0.54) TSPOAVPR1AOXTRAVPR2
SCHEMBL21378863 0.77 TSPO (0.61) TSPOAVPR1AOXTRAVPR2
SCHEMBL5548432 0.77 TSPO (0.56) TSPOAVPR1AOXTRAVPR2
SCHEMBL21397115 0.76 TSPO (0.55) TSPOAVPR1AOXTRAVPR2
SCHEMBL20277297 0.76 AVPR1A (0.61) TSPOAVPR1AOXTRAVPR2
SCHEMBL30047024 0.76 AVPR1A (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 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 (1 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

“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.