SCHEMBL16169031

SCHEMBL16169031

CC(C)[C@H](N)C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.40
SHBG P04278 1/20 0.40
DPP4 P27487 3/20 0.38
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL13416816 1.00 EPHX1 (0.40) EPHX1SHBGDPP4TP53KDM4E
SCHEMBL16316581 1.00 EPHX1 (0.40) EPHX1SHBGDPP4TP53KDM4E
SCHEMBL18638206 0.97 EPHX1 (0.36) EPHX1SHBGDPP4TP53KDM4E
SCHEMBL16168984 0.92
SCHEMBL14093938 0.92
SCHEMBL12960411 0.85
SCHEMBL19020235 0.85
SCHEMBL1086729 0.85
SCHEMBL5509761 0.83 EPHX1 (0.40) EPHX1SHBGDPP4TP53KDM4E
SCHEMBL14299180 0.83 EPHX1 (0.40) EPHX1SHBGDPP4TP53KDM4E

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-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 US disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 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-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 EPHX1 1910/4885SHBG 4885/4885DPP4 735/4885

“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.