SCHEMBL10211615

SCHEMBL10211615

CN1CCC[C@@H](NC(=O)Cc2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.64
SIGMAR1 Q99720 7/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.56
ME3 Q16798 1/20 0.52
USP30 Q70CQ3 2/20 0.51

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
SCHEMBL22868465 0.88 EPHX2 (0.56) EPHX2SIGMAR1
SCHEMBL21514108 0.85 EPHX2 (0.61) EPHX2SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL10211633 0.85 SIGMAR1 (0.60) EPHX2SIGMAR1ALDH1A1
SCHEMBL13847101 0.82 SIGMAR1 (0.72) EPHX2SIGMAR1MEN1KMT2AME3
SCHEMBL10212124 0.81 NPC1 (0.68) EPHX2MEN1KMT2AALDH1A1
SCHEMBL13621159 0.81 SIGMAR1 (0.58) SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL5049597 0.80 EPHX2 (0.90) EPHX2SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL2753089 0.80 EPHX2 (0.96) EPHX2SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL4356360 0.80 CTSL (0.57) MEN1KMT2AUSP30
SCHEMBL10210847 0.80 CTSL (0.57) MEN1KMT2AUSP30

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT EPHX2 3440/4885SIGMAR1 4493/4885MEN1 3526/4885

“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.