SCHEMBL6406056

SCHEMBL6406056

O=C(N[C@H](CO)CC1CCCCC1)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.47
AVPR1A P37288 7/20 0.46
KCNH2 Q12809 1/20 0.46
HSD11B1 P28845 8/20 0.45
TRPA1 O75762 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
OXTR P30559 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6405987 0.81 AVPR1A (0.53) HDAC4AVPR1AKCNH2HSD11B1TRPA1
SCHEMBL6405946 0.79 AVPR1A (0.48) HDAC4AVPR1AKCNH2HSD11B1OXTR
SCHEMBL6406749 0.79 AVPR1A (0.48) HDAC4AVPR1AKCNH2HSD11B1OXTR
SCHEMBL6405064 0.77 AVPR1A (0.49) HDAC4AVPR1AKCNH2HSD11B1TRPA1
SCHEMBL4963772 0.77 TRPA1 (0.53) HDAC4AVPR1AKCNH2TRPA1OXTR
SCHEMBL6410686 0.76 HDAC4 (0.50) HDAC4AVPR1AKCNH2HSD11B1OXTR
SCHEMBL6404625 0.76 HDAC4 (0.50) HDAC4AVPR1AKCNH2HSD11B1OXTR
SCHEMBL4961970 0.73 POLB (0.57) HDAC4AVPR1AKCNH2HSD11B1NPC1
SCHEMBL4966313 0.73 HDAC4 (0.49) HDAC4AVPR1AKCNH2HSD11B1OXTR
SCHEMBL6407406 0.72 CYP3A4 (0.47) HDAC4AVPR1AKCNH2TRPA1ALDH1A1

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 HDAC4 1710/4885AVPR1A 57/4885KCNH2 2120/4885

“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.