SCHEMBL280638

SCHEMBL280638

CCNC(C)c1ccc2c(c1)CC(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.46
SMYD3 Q9H7B4 11/20 0.43
GRIA1 P42261 2/20 0.43
CACNG8 Q8WXS5 2/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
EPHX2 P34913 1/20 0.40
PDK2 Q15119 1/20 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
SCHEMBL269135 0.80 AHR (0.46) AHRSMYD3GRIA1CACNG8PDE3B
SCHEMBL2611053 0.80 AHR (0.56) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL18885938 0.79 AHR (0.49) AHRSMYD3GRIA1CACNG8PDE3B
SCHEMBL265219 0.77 AHR (0.53) AHRSMYD3GRIA1CACNG8PDE3B
SCHEMBL21983115 0.77 AHR (0.53) AHRSMYD3GRIA1CACNG8PDE3B
SCHEMBL24191820 0.77 AHR (0.53) AHRSMYD3GRIA1CACNG8PDE3B
SCHEMBL25899777 0.77 AHR (0.53) AHRSMYD3GRIA1CACNG8PDE3B
SCHEMBL7038460 0.77 AHR (0.57) AHRSMYD3GRIA1CACNG8PDE3B
SCHEMBL24192217 0.77 AHR (0.53) AHRSMYD3GRIA1CACNG8PDE3B
SCHEMBL26025060 0.77 AHR (0.56) AHRGRIA1CACNG8PDE3BPDE3A

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 2 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

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 AHR 750/4885SMYD3 4509/4885GRIA1 154/4885

“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.