SCHEMBL6405767

SCHEMBL6405767

COC[C@H](Cc1ccccc1)NC(=O)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AVPR1A P37288 8/20 0.48
KCNH2 Q12809 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44
OXTR P30559 1/20 0.43
NOS2 P35228 1/20 0.43
ITGA4 P13612 2/20 0.43
ITGB7 P26010 2/20 0.43
ITGB1 P05556 1/20 0.43

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
SCHEMBL4963772 0.86 TRPA1 (0.53) TRPA1ALDH1A1SMN1; SMN2AVPR1AKCNH2
SCHEMBL6405987 0.80 AVPR1A (0.53) TRPA1ALDH1A1SMN1; SMN2AVPR1AKCNH2
SCHEMBL6407406 0.79 CYP3A4 (0.47) TRPA1ALDH1A1SMN1; SMN2AVPR1AKCNH2
SCHEMBL6405792 0.79 ALDH1A1 (0.46) TRPA1ALDH1A1SMN1; SMN2AVPR1AKCNH2
SCHEMBL6405795 0.79 ALDH1A1 (0.46) TRPA1ALDH1A1SMN1; SMN2AVPR1AKCNH2
SCHEMBL5049115 0.76 AVPR1A (0.57) TRPA1ALDH1A1SMN1; SMN2AVPR1AKCNH2
SCHEMBL6405064 0.76 AVPR1A (0.49) TRPA1ALDH1A1SMN1; SMN2AVPR1AKCNH2
SCHEMBL4962344 0.75 LMNA (0.56) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL6412108 0.74 FPR3 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19FPR3
SCHEMBL3136472 0.74 CNR1 (0.45) AVPR1ANOS2

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-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 US claimed
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 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-20050288338-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 TRPA1 4470/4885ALDH1A1 345/4885SMN1; SMN2 3497/4885

“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.