SCHEMBL13619984

SCHEMBL13619984

COCCNC(=O)Nc1cc2c3c(c1)C(c1ccccc1)CCN3CCC2c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
HPGD P15428 2/20 0.41
OPRM1 P35372 1/20 0.41
ALDH1A1 P00352 7/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPK1 P28482 2/20 0.40
MCL1 Q07820 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
BRD4 O60885 1/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BDKRB1 P46663 1/20 0.39
NPY1R P25929 1/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 1/20 0.38
CCR3 P51677 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL8988043 0.88 MAPT (0.43) TP53HPGDALDH1A1MAPTKDM4E
SCHEMBL13620001 0.87 KMT2A (0.40) TP53HPGDALDH1A1MAPTKDM4E
SCHEMBL11995852 0.86 EPHX1 (0.48) ALDH1A1MAPTHTTPOLBSMN1; SMN2
SCHEMBL1411686 0.86 EPHX1 (0.48) ALDH1A1MAPTHTTPOLBSMN1; SMN2
SCHEMBL1411818 0.86 MAPT (0.41) TP53HPGDALDH1A1MAPTKDM4E
SCHEMBL1411780 0.86 KDM1A (0.41) HPGDALDH1A1MAPTKDM4EMCL1
SCHEMBL2392413 0.85 EPHX1 (0.53) ALDH1A1MAPTHTTCCR3KMT2A
SCHEMBL2391511 0.84 EPHX1 (0.55) ALDH1A1MAPTHTTKMT2AMCHR1
SCHEMBL13625896 0.84 CCR3 (0.41) ALDH1A1MAPTKDM4EHTTPOLB
SCHEMBL8989797 0.84 CCR3 (0.43) MAPTKDM4EPOLBHTR2ACCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281322-A1 THERAPEUTICALLY USEFUL SUBSTITUTED 1,7-DIPHENYL-1,2,3,5,6,7-HEXAHYDROPYRIDO[3,2,1-Ij]QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2009-11-12 US disclosed
US-20090281322-A1 THERAPEUTICALLY USEFUL SUBSTITUTED 1,7-DIPHENYL-1,2,3,5,6,7-HEXAHYDROPYRIDO[3,2,1-Ij]QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2009-11-12 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 (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-20090281322-A1 THERAPEUTICALLY USEFUL SUBSTITUTED 1,7-DIPHENYL-1,2,3,5,6,7-HEXAHYDROPYRIDO[3,2,1-Ij]QUINOLINE COMPOUNDS GOT1, GOT2, NDUFA7 TP53 2222/4885HPGD 292/4885OPRM1 333/4885

“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.