SCHEMBL22648448

SCHEMBL22648448

C=N/C(=C\C=C(/C)Cl)NC(=O)C(=O)N1CCC2(CC1)OCc1cc(Cl)ccc12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 16/20 0.39
OXTR P30559 1/20 0.39
FASN P49327 1/20 0.34
IDO1 P14902 2/20 0.33
TDO2 P48775 2/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL22648509 0.94 AVPR1A (0.40) AVPR1AOXTRIDO1TDO2
SCHEMBL22648342 0.89 IDO1 (0.39) AVPR1AOXTRFASNIDO1TDO2
SCHEMBL22648336 0.88 HRH3 (0.42) AVPR1AOXTR
SCHEMBL22648475 0.83 AVPR1A (0.44) AVPR1A
SCHEMBL21138035 0.76 IDO1 (0.52) AVPR1AOXTRIDO1TDO2
SCHEMBL22648334 0.74 HSD11B1 (0.44) IDO1TDO2
SCHEMBL22648355 0.73 IDO1 (0.52) AVPR1AIDO1TDO2S1PR5
SCHEMBL21138032 0.72 IDO1 (0.56) AVPR1AOXTRFASNIDO1TDO2
SCHEMBL2158862 0.72 AVPR1A (0.52) AVPR1AOXTRFASNS1PR5
SCHEMBL21138037 0.72 IDO1 (0.60) AVPR1AOXTRIDO1TDO2

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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT AVPR1A 2904/4885OXTR 1945/4885FASN 828/4885

“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.