SCHEMBL2779633

SCHEMBL2779633

O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)C(N2C(=O)OC[C@@H]2c2ccccc2)C1C=Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 20/20 1.00

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
SCHEMBL20854857 1.00 AVPR1A (1.00) AVPR1A
SCHEMBL20819214 0.94 AVPR1A (0.89) AVPR1A
SCHEMBL45462 0.94 AVPR1A (0.89) AVPR1A
SCHEMBL2779270 0.94 AVPR1A (0.88) AVPR1A
SCHEMBL42841 0.94 AVPR1A (0.88) AVPR1A
SCHEMBL20821644 0.92 AVPR1A (0.85) AVPR1A
SCHEMBL2777339 0.92 AVPR1A (0.84) AVPR1A
SCHEMBL2777341 0.92 AVPR1A (0.84) AVPR1A
SCHEMBL20215705 0.91 AVPR1A (1.00) AVPR1A
SCHEMBL20384020 0.91 AVPR1A (1.00) AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016274-A1 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-21 US disclosed
WO-2008034032-A2 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS AZEVAN PHARMACEUTICALS, INC. (US) 2008-03-20 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 (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-20100016274-A1 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, FAAH2 AVPR1A 511/4885

“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.