SCHEMBL14082425

SCHEMBL14082425

Cc1ccnc(-c2ccc(C(=O)NC3CCCC3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
HPGD P15428 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MAPKAPK2 P49137 3/20 0.56
DYRK1B Q9Y463 1/20 0.56
LMNA P02545 2/20 0.52
GRM5 P41594 2/20 0.51
ROCK2 O75116 1/20 0.50
TP53 P04637 3/20 0.49
MAPT P10636 1/20 0.49
ACVR2A P27037 1/20 0.49
TGFBR2 P37173 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPK14 Q16539 1/20 0.48

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
SCHEMBL14082292 0.99 NPC1 (0.62) NPC1RAB9AHPGDCYP1A2CYP2C19
SCHEMBL14082343 0.95 MAPKAPK2 (0.54) NPC1RAB9AHPGDCYP1A2CYP2C19
SCHEMBL14082401 0.89 ATR (0.52) HPGDMAPKAPK2DYRK1BLMNAROCK2
SCHEMBL14082309 0.87 MAPKAPK2 (0.51) NPC1RAB9AHPGDCYP1A2CYP2C19
SCHEMBL14082653 0.81 TRPV1 (0.54) NPC1RAB9AMAPKAPK2DYRK1B
SCHEMBL14082317 0.81 KMT2A (0.62) CYP1A2CYP2C19SMN1; SMN2LMNAKMT2A
SCHEMBL14082303 0.81 TAS1R3 (0.60) NPC1RAB9AHPGDLMNAKMT2A
SCHEMBL14082593 0.81 HDAC4 (0.55) NPC1RAB9AHPGDCYP1A2CYP2C19
SCHEMBL14082198 0.80 GRM5 (0.58) NPC1RAB9AHPGDCYP1A2CYP2C19
SCHEMBL14082361 0.79 HSD11B1 (0.47) HPGDSMN1; SMN2LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 US disclosed
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 NPC1 1061/4885RAB9A 1914/4885HPGD 703/4885

“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.