SCHEMBL264854

SCHEMBL264854

O=C(NCc1ccnc2ccccc12)c1ccc2cc(C3CC3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
TACR1 P25103 3/20 0.47
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
AR P10275 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
MAPT P10636 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL269559 0.80 SMN1; SMN2 (0.49) MMP2MMP13ADORA2AADORA1SMN1; SMN2
SCHEMBL4787180 0.80 FLT1 (0.48) MMP2MMP13TACR1ADORA2AADORA1
SCHEMBL263929 0.79 SMN1; SMN2 (0.45) MMP2MMP13TACR1ADORA2AADORA1
SCHEMBL264360 0.73 SMN1; SMN2 (0.48) MMP2MMP13ADORA2AADORA1SMN1; SMN2
SCHEMBL13491348 0.73 EGLN1 (0.54) ADORA2AADORA1ALDH1A1KDM4EEGLN1
SCHEMBL263858 0.73 SMN1; SMN2 (0.43) ADORA2AADORA1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL24845437 0.70 HDAC8 (0.46) MMP13SMN1; SMN2ALDH1A1MAPTHDAC3
SCHEMBL2937018 0.69 CYP1A2 (0.54) TACR1ADORA2AADORA1SMN1; SMN2ALDH1A1
SCHEMBL13035844 0.68 L3MBTL1 (0.52) ADORA2AADORA1SMN1; SMN2KDM4EMAPT
SCHEMBL4739588 0.67 ADORA2A (0.48) TACR1ADORA2AADORA1EGLN1HDAC3

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
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
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
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US 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 MMP2 3763/4885MMP13 3059/4885TACR1 211/4885

“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.