SCHEMBL4496282

SCHEMBL4496282

CCCN(CC1CC1)c1nc2ccccc2cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
CRHR1 P34998 14/20 0.44
PLK1 P53350 1/20 0.41
LMNA P02545 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
GMNN O75496 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL5623938 0.88 ALDH1A1 (0.46) ALDH1A1GAALMNACYP2C9CYP2C19
SCHEMBL2393935 0.87 ALDH1A1 (0.45) ALDH1A1GAALMNACYP2C9CYP2C19
SCHEMBL4497294 0.84 CRHR1 (0.50) ALDH1A1GAACRHR1HPGDKDM4E
SCHEMBL11947610 0.81 ALDH1A1 (0.43) ALDH1A1GAACRHR1LMNACYP2C9
SCHEMBL4509933 0.79 CRHR1 (0.45) CRHR1PLK1LMNACYP2C9CYP2C19
SCHEMBL4501540 0.74 CRHR1 (0.45) CRHR1LMNACYP2C9CYP2C19MEN1
SCHEMBL5042709 0.74 PARP14 (0.38) ALDH1A1GAACRHR1SMN1; SMN2KDM4E
SCHEMBL2392414 0.74 ALDH1A1 (0.45) ALDH1A1GAACRHR1LMNACYP2C9
SCHEMBL14390047 0.73 DGAT1 (0.38) ALDH1A1GAACRHR1KDM4EMEN1
SCHEMBL16764607 0.72 ALDH1A1 (0.67) ALDH1A1GAALMNACYP2C9CYP2C19

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-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
EP-1979341-A1 TRISUBSTITUTED AMINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP disclosed
WO-2007088999-A1 TRISUBSTITUTED AMINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 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-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB ALDH1A1 3188/4885GAA 1887/4885CRHR1 3834/4885

“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.