SCHEMBL6405946

SCHEMBL6405946

CC(C)C[C@@H](CO)NC(=O)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.48
HDAC4 P56524 1/20 0.47
CNR1 P21554 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KCNH2 Q12809 1/20 0.43
CTSL P07711 1/20 0.43
HSD11B1 P28845 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CCR1 P32246 1/20 0.41
OXTR P30559 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
SCHEMBL6406749 1.00 AVPR1A (0.48) AVPR1AHDAC4CNR1SMN1; SMN2ALDH1A1
SCHEMBL6405987 0.84 AVPR1A (0.53) AVPR1AHDAC4SMN1; SMN2ALDH1A1GAA
SCHEMBL4966313 0.81 HDAC4 (0.49) AVPR1AHDAC4SMN1; SMN2ALDH1A1GAA
SCHEMBL4963772 0.80 TRPA1 (0.53) AVPR1AHDAC4SMN1; SMN2ALDH1A1KCNH2
SCHEMBL6405064 0.80 AVPR1A (0.49) AVPR1AHDAC4SMN1; SMN2ALDH1A1GAA
SCHEMBL6406056 0.79 HDAC4 (0.47) AVPR1AHDAC4SMN1; SMN2ALDH1A1KCNH2
SCHEMBL5049115 0.77 AVPR1A (0.57) AVPR1AHDAC4SMN1; SMN2ALDH1A1GAA
SCHEMBL6407406 0.75 CYP3A4 (0.47) AVPR1AHDAC4SMN1; SMN2ALDH1A1GAA
SCHEMBL4971409 0.74 HDAC4 (0.47) AVPR1AHDAC4SMN1; SMN2ALDH1A1GAA
SCHEMBL6410915 0.73 ALDH1A1 (0.62) AVPR1AHDAC4SMN1; SMN2ALDH1A1KCNH2

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 AVPR1A 57/4885HDAC4 1710/4885CNR1 430/4885

“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.