SCHEMBL16438129

SCHEMBL16438129

Cc1ccc2c(c1)OCCc1[nH]c(C)nc1-2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 9/20 0.46
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADRA2A P08913 1/20 0.35
MAOB P27338 2/20 0.34
NPC1 O15118 1/20 0.34
PIK3CA P42336 5/20 0.34
PIK3CB P42338 5/20 0.34
PIK3CG P48736 5/20 0.34
CYP19A1 P11511 1/20 0.33
PIK3CD O00329 2/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL14985623 0.85 MMP12 (0.36) NPY5RALDH1A1MAPTMAOBNPC1
SCHEMBL2756732 0.77 ALDH1A1 (0.36) NPY5RALDH1A1GAAMAPTHSD17B10
SCHEMBL2756727 0.76 NPY5R (0.42) NPY5RALDH1A1GAAMAPTADRA2A
SCHEMBL16438128 0.74 NPY5R (0.52) NPY5RALDH1A1GAAMAPT
SCHEMBL13746366 0.69 NPY5R (0.41) NPY5RMAPTADRA2AMAOBPIK3CA
SCHEMBL2756725 0.69 LMNA (0.36) MAPTPIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL31303039 0.68 MAOB (0.64) ALDH1A1MAOBNPC1CYP19A1GRM5
SCHEMBL768839 0.68 MAOB (0.64) ALDH1A1MAOBNPC1CYP19A1GRM5
SCHEMBL13204557 0.68 MAOB (0.40) ALDH1A1GAAMAPTHSD17B10ADRA2A
SCHEMBL26714218 0.68 MAOB (0.40) ALDH1A1GAAMAPTHSD17B10MAOB

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-20150038501-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038501-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. 2015-02-05 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-20150038501-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 NPY5R 4824/4885ALDH1A1 3492/4885GAA 789/4885

“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.