SCHEMBL13174142

SCHEMBL13174142

N#Cc1ccc([C@@H](O)CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
SCN9A Q15858 5/20 0.43
F2R P25116 1/20 0.41
CYP19A1 P11511 2/20 0.41
CYP2A6 P11509 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
MMP3 P08254 1/20 0.40
ENPP2 Q13822 1/20 0.40
ALK Q9UM73 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRIN1 Q05586 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
SCHEMBL28239877 1.00 CA12 (0.44) CA12CA2CA3CA6CA9
SCHEMBL11980418 1.00 CA12 (0.44) CA12CA2CA3CA6CA9
SCHEMBL14965705 0.89 SCN9A (0.57) SCN9ACYP19A1KDM4EMAPTGRIN1
SCHEMBL13891122 0.83 CA12 (0.41) CA12CA2CA3CA6CA9
SCHEMBL11980400 0.81 CA12 (0.43) CA12CA2CA3CA6CA9
SCHEMBL4084185 0.81 LOXL2 (0.48) CA12CA2CA3CA6CA9
SCHEMBL18245963 0.81 LMNA (0.54) CA12CA2CA3CA6CA9
SCHEMBL1225879 0.81 GSK3B (0.46) CA12CA2CA3CA6CA9
SCHEMBL1099897 0.81 GSK3B (0.46) CA12CA2CA3CA6CA9
SCHEMBL7105483 0.81 CA12 (0.43) CA12CA2CA3CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021219019-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2021-11-04 WO disclosed
US-8623873-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2014-01-07 US disclosed
EP-2548874-A2 Substituted piperazines as CB1 antagonists Intervet International B.V. (NL) 2013-01-23 EP disclosed
US-20100249144-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INTERNATIONAL B.V. (NL) 2010-09-30 US disclosed
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2009-04-23 US disclosed
WO-2009005646-A2 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2009-01-08 WO disclosed
WO-2009005645-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2009-01-08 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-20090105208-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 CA12 4237/4885CA2 3771/4885CA3 3896/4885
US-20100249144-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 CA12 4273/4885CA2 3824/4885CA3 4030/4885

“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.