SCHEMBL4963133

SCHEMBL4963133

CCC(Cc1ccc(C)c(O)c1)NC(=O)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
OXTR P30559 1/20 0.40
HDAC4 P56524 1/20 0.40
TRPA1 O75762 4/20 0.38
CYP3A4 P08684 1/20 0.37
UGCG Q16739 1/20 0.37

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
SCHEMBL3149680 0.77 AVPR1A (0.42) AVPR1AGAAHTTCYP3A4
SCHEMBL6405987 0.76 AVPR1A (0.53) AVPR1ASMN1; SMN2KCNH2ALDH1A1GAA
SCHEMBL4963144 0.75 ALDH1A1 (0.48) AVPR1ASMN1; SMN2KCNH2ALDH1A1GAA
SCHEMBL6405064 0.75 AVPR1A (0.49) AVPR1ASMN1; SMN2KCNH2ALDH1A1GAA
SCHEMBL4962899 0.73 HPGD (0.38) SMN1; SMN2GAACYP3A4
SCHEMBL5049115 0.72 AVPR1A (0.57) AVPR1ASMN1; SMN2KCNH2ALDH1A1GAA
SCHEMBL4963772 0.72 TRPA1 (0.53) AVPR1ASMN1; SMN2KCNH2ALDH1A1OXTR
Water SCHEMBL1530715 0.71 NR3C1 (0.45) ALDH1A1GAAKDM4ETRPA1CYP3A4
SCHEMBL6405767 0.71 TRPA1 (0.49) AVPR1ASMN1; SMN2KCNH2ALDH1A1OXTR
SCHEMBL13359831 0.70 HTR1B (0.50) ALDH1A1GAAKDM4ETRPA1CYP3A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP claimed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP claimed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO claimed
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 US claimed
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP disclosed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP disclosed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO disclosed
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 AVPR1A 57/4885SMN1; SMN2 3497/4885KCNH2 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.