SCHEMBL6405795

SCHEMBL6405795

COC[C@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)[C@H](O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AVPR1A P37288 5/20 0.41
HDAC4 P56524 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD11B1 P28845 3/20 0.39
KCNH2 Q12809 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TRPA1 O75762 3/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL6405792 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2AVPR1AHDAC4ROCK2
SCHEMBL6406287 0.86 HDAC4 (0.44) ALDH1A1SMN1; SMN2AVPR1AHDAC4HSD11B1
SCHEMBL6406294 0.86 HDAC4 (0.44) ALDH1A1SMN1; SMN2AVPR1AHDAC4HSD11B1
SCHEMBL6413085 0.81 CYP2D6 (0.50) ALDH1A1SMN1; SMN2AVPR1AHDAC4CYP1A2
SCHEMBL6406223 0.81 CYP2D6 (0.50) ALDH1A1SMN1; SMN2AVPR1AHDAC4CYP1A2
SCHEMBL6413090 0.81 CYP2D6 (0.50) ALDH1A1SMN1; SMN2AVPR1AHDAC4CYP1A2
SCHEMBL6405636 0.81 CYP2D6 (0.50) ALDH1A1SMN1; SMN2AVPR1AHDAC4CYP1A2
SCHEMBL6405767 0.79 TRPA1 (0.49) ALDH1A1SMN1; SMN2AVPR1ACYP2D6CYP2C19
SCHEMBL6410915 0.77 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2AVPR1AHDAC4HSD11B1
SCHEMBL6404844 0.77 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2AVPR1AHDAC4HSD11B1

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 ALDH1A1 345/4885SMN1; SMN2 3497/4885AVPR1A 57/4885

“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.