SCHEMBL12697309

SCHEMBL12697309

CCCCOc1c(C(=O)NC)ccc(C(=O)NCc2ccc(F)cc2)c1OCCCC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.57
CNR2 P34972 2/20 0.56
HPGD P15428 1/20 0.56
LIPG Q9Y5X9 1/20 0.49
LMNA P02545 4/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 1/20 0.47
PTGER4 P35408 1/20 0.46
PTGER2 P43116 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
PTPN7 P35236 1/20 0.45
DUSP3 P51452 1/20 0.45

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
SCHEMBL12697368 0.96 FAAH (0.61) FAAHCNR2HPGDLIPGLMNA
SCHEMBL16977703 0.94 LIPG (0.55) FAAHCNR2HPGDLIPGLMNA
SCHEMBL12697416 0.85 CNR2 (0.56) FAAHCNR2HPGDLMNAMAPT
SCHEMBL12697379 0.83 CNR2 (0.65) FAAHCNR2HPGDLMNAMAPT
SCHEMBL15708143 0.81 LMNA (0.70) HPGDLMNAMAPTL3MBTL1KMT2A
SCHEMBL12697381 0.81 EGLN1 (0.59) FAAHCNR2HPGDLMNAMAPT
SCHEMBL8981479 0.81 CNR2 (0.55) FAAHCNR2HPGDLMNAMAPT
SCHEMBL8981503 0.80 CNR2 (0.54) FAAHCNR2HPGDMAPTGAA
SCHEMBL12697314 0.80 KMT2A (0.59) HPGDLIPGLMNAMAPTL3MBTL1
SCHEMBL8981509 0.79 CNR2 (0.53) FAAHCNR2HPGDMAPTKMT2A

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
US-20150218120-A1 HIV INTEGRASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-06 US disclosed
US-20140142137-A1 HIV INTEGRASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (US) 2014-05-22 US disclosed
WO-2012106534-A2 HIV INTEGRASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-09 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 (2 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-20140142137-A1 HIV INTEGRASE INHIBITORS IMPDH1, TYMP, IMPA1 FAAH 3688/4885CNR2 4787/4885HPGD 1507/4885
US-20150218120-A1 HIV INTEGRASE INHIBITORS IMPDH1, TYMP, IMPA1 FAAH 3688/4885CNR2 4787/4885HPGD 1507/4885

“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.