SCHEMBL13620001

SCHEMBL13620001

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 4/20 0.39
CCR3 P51677 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
MCHR1 Q99705 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1411818 0.90 MAPT (0.41) KMT2AMEN1POLBMAPTCCR3
SCHEMBL8988043 0.90 MAPT (0.43) KMT2AMEN1POLBMAPTCCR3
SCHEMBL8989797 0.88 CCR3 (0.43) KMT2AMEN1POLBMAPTCCR3
SCHEMBL1411686 0.88 EPHX1 (0.48) KMT2AMEN1POLBMAPTCCR3
SCHEMBL13625896 0.88 CCR3 (0.41) KMT2AMEN1POLBMAPTCCR3
SCHEMBL11995852 0.88 EPHX1 (0.48) KMT2AMEN1POLBMAPTCCR3
SCHEMBL1411780 0.87 KDM1A (0.41) POLBMAPTPIK3CAMTORMCHR1
SCHEMBL13619989 0.87 CCR3 (0.39) KMT2AMEN1POLBMAPTCCR3
SCHEMBL13619983 0.87 CCR3 (0.43) KMT2AMEN1POLBCCR3MCHR1
SCHEMBL2392413 0.87 EPHX1 (0.53) KMT2AMAPTCCR3MCHR1ALDH1A1

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 KMT2A 3092/4885MEN1 1758/4885POLB 3342/4885

“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.