SCHEMBL263929

SCHEMBL263929

CC1(c2ccc3cc(C(=O)NCc4ccnc5ccccc45)ccc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GLA P06280 1/20 0.42
TACR1 P25103 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
ADAM17 P78536 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
HDAC3 O15379 1/20 0.41

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) SMN1; SMN2ALDH1A1KDM4EGAAMMP2
SCHEMBL264854 0.79 MMP2 (0.47) SMN1; SMN2ALDH1A1KDM4EGAAMMP2
SCHEMBL4787180 0.78 FLT1 (0.48) SMN1; SMN2ALDH1A1KDM4EMMP2MMP13
SCHEMBL264360 0.74 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4EGAAMMP2
SCHEMBL263858 0.73 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4EGAAADORA2A
SCHEMBL13035844 0.69 L3MBTL1 (0.52) SMN1; SMN2KDM4EADORA2AADORA1MAPT
SCHEMBL2937018 0.68 CYP1A2 (0.54) SMN1; SMN2ALDH1A1KDM4EADORA2AADORA1
SCHEMBL264372 0.66 CYP26A1 (0.57) KDM4E
SCHEMBL4739588 0.66 ADORA2A (0.48) ADORA2AADORA1MEN1KMT2ATACR1
SCHEMBL263436 0.66 MEN1 (0.47) ALDH1A1ADORA2AADORA1MEN1KMT2A

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 SMN1; SMN2 1166/4885ALDH1A1 986/4885KDM4E 3569/4885

“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.