SCHEMBL2592722

SCHEMBL2592722

Nc1ncccc1C#CC1CCC(O)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
GRM5 P41594 1/20 0.39
PTPN11 Q06124 1/20 0.37
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
BACE1 P56817 1/20 0.33
CSF1R P07333 1/20 0.32
PIK3CD O00329 3/20 0.32
PIK3CA P42336 3/20 0.32
PIK3CB P42338 3/20 0.32
PIK3CG P48736 3/20 0.32
KDM4E B2RXH2 2/20 0.32
RECQL P46063 1/20 0.32
ELANE P08246 1/20 0.31
KCNMA1 Q12791 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PRKCQ Q04759 1/20 0.30

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
SCHEMBL14740065 1.00 CYP1A2 (0.39) CYP1A2GRM5PTPN11NOS3NOS1
SCHEMBL29856498 0.92 CYP1A2 (0.44) CYP1A2GRM5PTPN11NOS3NOS1
SCHEMBL31690840 0.92 CYP1A2 (0.44) CYP1A2GRM5PTPN11NOS3NOS1
SCHEMBL31690851 0.86 GRM5 (0.53) CYP1A2GRM5PTPN11NOS3NOS1
SCHEMBL31690836 0.84 GRM5 (0.55) CYP1A2GRM5PTPN11NOS3NOS1
SCHEMBL30942701 0.82 CYP1A2 (0.39) CYP1A2GRM5PTPN11NOS3NOS1
SCHEMBL23858285 0.78 PIK3CD (0.38) CYP1A2GRM5NAPRTPIK3CDPIK3CA
SCHEMBL13268444 0.73 KDM4E (0.39) CYP1A2GRM5PTPN11PIK3CDPIK3CA
SCHEMBL18188415 0.72 GRM5 (0.44) CYP1A2GRM5PTPN11
SCHEMBL15730262 0.72 CYP1A2 (0.47) CYP1A2GRM5PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566481-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH Merck Sharp & Dohme Corp. (US) 2013-03-13 EP disclosed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
WO-2011140164-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2011-11-10 WO 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-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH FAAH, FAAH2, IDO1 CYP1A2 598/4885GRM5 328/4885PTPN11 3300/4885

“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.