SCHEMBL2629005

SCHEMBL2629005

Cn1ncc2c1Nc1ccccc1N(C(=O)c1ccc(CNC(=O)C3CCN(Cl)CC3)c(Cl)c1)C2

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 20/20 0.62
OXTR P30559 13/20 0.59
AVPR2 P30518 7/20 0.56
CHRM2 P08172 1/20 0.54
CHRM4 P08173 1/20 0.54
CHRM5 P08912 1/20 0.54
CHRM3 P20309 1/20 0.54
DRD3 P35462 1/20 0.54
OPRK1 P41145 1/20 0.54

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
SCHEMBL5552025 0.93 AVPR1A (0.63) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2131487 0.92 AVPR1A (0.59) AVPR1AOXTRAVPR2CHRM2CHRM4
Hydrochloric Acid SCHEMBL2129296 0.92 AVPR1A (0.62) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2129451 0.92 AVPR1A (0.59) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2129088 0.90 AVPR1A (0.57) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2129723 0.86 AVPR1A (0.54) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2133500 0.86 AVPR1A (0.56) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2132447 0.85 AVPR1A (0.54) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2128712 0.85 AVPR1A (0.54) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL18944308 0.84 AVPR1A (0.70) AVPR1AOXTRAVPR2CHRM2CHRM4

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 AVPR1A 1/4885OXTR 8/4885AVPR2 2/4885

“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.