SCHEMBL2278503

SCHEMBL2278503

CN(C)CCNc1cccc(C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.46
SYK P43405 1/20 0.44
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTT P42858 1/20 0.41
MALT1 Q9UDY8 1/20 0.39
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ACP1 P24666 2/20 0.38
TERT O14746 1/20 0.37
RAD52 P43351 1/20 0.36
FGFR2 P21802 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL5540240 0.81 HTR7 (0.49) HTR7CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL3694813 0.80 CYP2A6 (0.44) SYKCYP2C19CYP1A2MAPTMALT1
SCHEMBL6141318 0.79 NOS1 (0.50) SYKNOS1NOS2CYP2C19CYP1A2
SCHEMBL5915750 0.79 HTR7 (0.53) HTR7CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL5538035 0.78 HTR7 (0.45) HTR7CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL31023263 0.78 HTR7 (0.45) HTR7CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL12218215 0.77 EGFR (0.47) HTR7CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL9101071 0.77 HTR7 (0.52) HTR7CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL7285414 0.76 HTR7 (0.51) HTR7CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL11696738 0.76 MAPT (0.71) SYKNOS1NOS2CYP2C19CYP1A2

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-7989478-B2 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-02 US disclosed
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 US disclosed
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US disclosed
US-20060211680-A1 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-21 US disclosed
EP-1671948-A1 CINNAMOYL COMPOUND AND USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2006-06-21 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-20060211680-A1 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis COL2A1, COL1A1, COL14A1 HTR7 4410/4885SYK 4643/4885NOS1 669/4885

“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.