SCHEMBL13891122

SCHEMBL13891122

N#Cc1ccc(C(O)CCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
F2R P25116 1/20 0.40
CYP19A1 P11511 5/20 0.39
CYP2A6 P11509 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
MMP3 P08254 1/20 0.38
ENPP2 Q13822 1/20 0.38
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL11980418 0.83 CA12 (0.44) CA12CA2CA3CA6CA9
SCHEMBL28239877 0.83 CA12 (0.44) CA12CA2CA3CA6CA9
SCHEMBL13174142 0.83 CA12 (0.44) CA12CA2CA3CA6CA9
SCHEMBL9647636 0.81 TSHR (0.45) CA12CA2CA3CA6CA9
SCHEMBL10667759 0.81 MMP12 (0.53) CYP19A1CYP2A6LOXL2MMP12MMP13
SCHEMBL16070643 0.80 HDAC8 (0.34) CA12CA2CA9CA14KDM4E
SCHEMBL16070657 0.80 HDAC8 (0.34) CA12CA2CA9CA14KDM4E
SCHEMBL16070651 0.80 HDAC8 (0.34) CA12CA2CA9CA14KDM4E
SCHEMBL391675 0.78 LOXL2 (0.41) CA12CA2CA3CA6CA9
SCHEMBL391676 0.78 LOXL2 (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20090105208-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 CA12 4237/4885CA2 3771/4885CA3 3896/4885

“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.