SCHEMBL21138035

SCHEMBL21138035

O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)OCc1cc(Cl)ccc12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.52
TDO2 P48775 4/20 0.52
AVPR1A P37288 9/20 0.46
OXTR P30559 1/20 0.46
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL21138037 0.91 IDO1 (0.60) IDO1TDO2AVPR1AOXTRRAB9A
SCHEMBL22648473 0.89 FASN (0.52) IDO1TDO2
SCHEMBL22648520 0.89 IDO1 (0.65) IDO1TDO2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21138032 0.85 IDO1 (0.56) IDO1TDO2AVPR1AOXTRNPC1
SCHEMBL22648363 0.83 IDO1 (0.51) IDO1TDO2AVPR1AOXTRSMN1; SMN2
SCHEMBL2158862 0.81 AVPR1A (0.52) AVPR1AOXTR
SCHEMBL22648354 0.80 IDO1 (0.60) IDO1TDO2AVPR1AOXTRALDH1A1
SCHEMBL21138071 0.78 IDO1 (0.56) IDO1TDO2AVPR1AOXTRNPC1
SCHEMBL22648347 0.76 IDO1 (0.67) IDO1TDO2AVPR1AOXTRALDH1A1
SCHEMBL22648448 0.76 AVPR1A (0.39) IDO1TDO2AVPR1AOXTR

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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 US disclosed
WO-2019115586-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-06-20 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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT IDO1 1/4885TDO2 7/4885AVPR1A 2904/4885

“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.