SCHEMBL14909287

SCHEMBL14909287

COC(C)CCc1cc(N)ccn1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
NOS3 P29474 3/20 0.33
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
LNPEP Q9UIQ6 3/20 0.33
SREBF2 Q12772 1/20 0.33
KCNH2 Q12809 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
GRM4 Q14833 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
SYK P43405 1/20 0.31
LOX P28300 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31

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
SCHEMBL10076071 0.79 TDP1 (0.38) NOS3NOS1NOS2ALDH1A1GAA
SCHEMBL31453329 0.77 KCNH2 (0.38) KDM4ELMNACYP3A4TSHRNOS3
SCHEMBL21604095 0.74 KDM4E (0.58) KDM4ELMNACYP3A4TSHRNOS3
SCHEMBL23153071 0.73 NOS3 (0.43) HRH4KDM4ELMNACYP3A4TSHR
SCHEMBL17967618 0.73 NOS3 (0.38) KDM4ELMNACYP3A4TSHRNOS3
SCHEMBL28510195 0.72 KCNH2 (0.41) KDM4ELMNACYP3A4TSHRNOS3
SCHEMBL18989709 0.71 ALDH1A1 (0.39) KDM4ELMNACYP3A4TSHRALDH1A1
SCHEMBL28292606 0.71 LMNA (0.41) KDM4ELMNACYP3A4TSHRALDH1A1
SCHEMBL28040587 0.71 ASIC3 (0.38) KDM4ELMNACYP3A4TSHRNOS3
SCHEMBL1260635 0.70 NOS2 (0.47) HRH4KDM4ELMNACYP3A4TSHR

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
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
CN-102958918-B Novel tobacco amide derivatives or its salt FUJIFILM CORP. (JP) 2015-12-09 CN disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK HRH4 71/4885KDM4E 2420/4885LMNA 3649/4885

“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.