SCHEMBL2629002

SCHEMBL2629002

CCCCCCN1CCN(CCC(=O)NCC2CCC(C(=O)N3Cc4cnn(C)c4Nc4cc(Cl)ccc43)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 16/20 0.45
OXTR P30559 3/20 0.45
IDH1 O75874 2/20 0.39
DRD2 P14416 1/20 0.38
AVPR2 P30518 1/20 0.35

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
SCHEMBL1495933 0.94 AVPR1A (0.42) AVPR1AOXTRIDH1DRD2
SCHEMBL1496069 0.87 AVPR1A (0.42) AVPR1AOXTRIDH1AVPR2
SCHEMBL1496096 0.86 IDH1 (0.43) AVPR1AOXTRIDH1AVPR2
SCHEMBL1496011 0.84 AVPR1A (0.41) AVPR1AOXTRAVPR2
SCHEMBL1495930 0.84 AVPR1A (0.40) AVPR1AOXTRIDH1AVPR2
SCHEMBL2629001 0.83 IDH1 (0.37) AVPR1AOXTRIDH1AVPR2
SCHEMBL1496129 0.83 AVPR1A (0.43) AVPR1AOXTRAVPR2
Hydrochloric Acid SCHEMBL1495896 0.83 IDH1 (0.37) AVPR1AOXTRIDH1AVPR2
SCHEMBL1496276 0.82 AVPR1A (0.41) AVPR1AOXTRAVPR2
SCHEMBL2628459 0.82 IDH1 (0.40) AVPR1AOXTRIDH1AVPR2

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 8/4885IDH1 3133/4885

“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.