SCHEMBL263407

SCHEMBL263407

NC(CO)c1ccnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
NCF1 P14598 1/20 0.48
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
FERMT2 Q96AC1 1/20 0.42
CYP2D6 P10635 6/20 0.40
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
RAB9A P51151 2/20 0.40
PTK2B Q14289 2/20 0.40

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
SCHEMBL9186226 0.86 LOXL2 (0.47) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL8907514 0.82 LOXL2 (0.44) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL277463 0.82 LOXL2 (0.50) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL8908132 0.82 LOXL2 (0.50) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL11904339 0.82 LOXL2 (0.46) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL1591841 0.81 NCF1 (0.52) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL8908581 0.81 KDM4E (0.45) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL8908222 0.81 LOXL2 (0.49) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL16151154 0.80 LOXL2 (0.45) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL6665709 0.79 LOXL2 (0.55) LOXL2NCF1HTR1AADRA1DADRA1A

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-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US disclosed
EP-2044018-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS Pfizer Japan, Inc. (JP) 2009-04-08 EP disclosed
WO-2008007211-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-01-17 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-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 LOXL2 2596/4885NCF1 1434/4885HTR1A 164/4885

“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.