SCHEMBL14928515

SCHEMBL14928515

CC(C)C(OC(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 3/20 0.50
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL14928354 0.95 L3MBTL1 (0.53) L3MBTL1POLBCHRM2CHRM4CHRM1
SCHEMBL3346271 0.90 L3MBTL1 (0.52) L3MBTL1POLBCHRM2CHRM4CHRM1
SCHEMBL29457660 0.85 L3MBTL1 (0.60) L3MBTL1POLBCHRM2CHRM4CHRM1
SCHEMBL29457630 0.85 L3MBTL1 (0.60) L3MBTL1POLBCHRM2CHRM4CHRM1
SCHEMBL16215494 0.84 L3MBTL1 (0.51) L3MBTL1POLBCHRM2CHRM4CHRM1
SCHEMBL3886836 0.84 L3MBTL1 (0.62) L3MBTL1POLBCHRM2CHRM4CHRM1
SCHEMBL3886835 0.84 L3MBTL1 (0.62) L3MBTL1POLBCHRM2CHRM4CHRM1
SCHEMBL29457624 0.84 L3MBTL1 (0.62) L3MBTL1POLBCHRM2CHRM4CHRM1
SCHEMBL16169043 0.82 L3MBTL1 (0.55) L3MBTL1POLBADRB2ADRB1ADRB3
SCHEMBL14910295 0.81 L3MBTL1 (0.47) L3MBTL1POLBCHRM2CHRM4CHRM1

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 5 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-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 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 (2 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK L3MBTL1 4344/4885POLB 4026/4885CHRM2 582/4885
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 L3MBTL1 3888/4885POLB 4179/4885CHRM2 385/4885

“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.