SCHEMBL3334156

SCHEMBL3334156

CC(C)(C)c1ccc(NC(=O)[C@H]2CC[C@@H](NC(=O)c3ccon3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
EPHX2 P34913 1/20 0.46
TRPV1 Q8NER1 2/20 0.44
ENPP3 O14638 3/20 0.43
ENPP1 P22413 3/20 0.43
ENPP2 Q13822 1/20 0.43
NAMPT P43490 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
FLT3 P36888 1/20 0.41
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL3347092 0.83 NPC1 (0.47) GAANPC1RAB9AKMT2A
SCHEMBL10192549 0.81 HTT (0.50) EPHX1GAANPC1RAB9AKMT2A
SCHEMBL3333820 0.79 MAPT (0.46) NPC1RAB9AKMT2A
SCHEMBL8586120 0.78 NAMPT (0.66) EPHX1EPHX2TRPV1ENPP3ENPP1
SCHEMBL14108403 0.78 MLLT1 (0.47) NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL28847292 0.77 MLLT1 (0.46) NPC1RAB9AKMT2A
SCHEMBL3327579 0.76 PTPN2 (0.51) GAANPC1RAB9A
SCHEMBL3367312 0.76 NPC1 (0.43) GAANPC1RAB9AKMT2A
SCHEMBL3331408 0.74 GNRHR (0.41)
SCHEMBL3327972 0.74 GNRHR (0.42) GAANPC1RAB9AKMT2A

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-8653125-B2 Cyclohexane derivative having NPY Y5 receptor antagonism SHIONOGI CO., LTD. (JP) 2014-02-18 US disclosed
US-20120004227-A1 CYCLOHEXANE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISM SHIONOGI & CO., LTD. (JP) 2012-01-05 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-20120004227-A1 CYCLOHEXANE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISM NPY5R, NPY1R, NPY2R EPHX1 3396/4885EPHX2 2057/4885TRPV1 254/4885

“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.