SCHEMBL3055008

SCHEMBL3055008

CCNc1cc(Cl)ccc1C(=O)NCCN1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
ALDH1A1 P00352 1/20 0.55
EPHX2 P34913 1/20 0.52
HTT P42858 1/20 0.51
HTR4 Q13639 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP2C19 P33261 1/20 0.49
CNR1 P21554 1/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CACNA1G O43497 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL12513696 0.81 GAA (0.54) GAAALDH1A1CNR1KDM4ESMN1; SMN2
SCHEMBL9410255 0.80 ALDH1A1 (0.59) GAAALDH1A1EPHX2HTTHTR4
SCHEMBL12513580 0.79 GAA (0.52) GAAALDH1A1CNR1KDM4ESMN1; SMN2
SCHEMBL485925 0.78 ALDH1A1 (0.48) ALDH1A1EPHX2HTR4HSD17B10NPSR1
SCHEMBL12438184 0.78 GAA (0.51) GAAALDH1A1CNR1KDM4ESMN1; SMN2
SCHEMBL8771387 0.77 ALDH1A1 (0.61) GAAALDH1A1EPHX2HTR4CYP2C19
SCHEMBL12438244 0.76 GAA (0.49) GAAALDH1A1CNR1KDM4ESMN1; SMN2
SCHEMBL11554175 0.75 CYP2C19 (0.81) ALDH1A1EPHX2HTTCYP2C19SMN1; SMN2
SCHEMBL14139915 0.75 HRH3 (0.52) GAA
SCHEMBL14329888 0.74 ALDH1A1 (0.94) GAAALDH1A1EPHX2CNR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 US disclosed
EP-2205566-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-14 EP disclosed
WO-2009074749-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 WO 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-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 GAA 730/4885ALDH1A1 380/4885EPHX2 1700/4885

“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.