SCHEMBL13619989

SCHEMBL13619989

N#CCCNC(=O)Nc1cc2c3c(c1)C(c1ccccc1)CCN3CCC2c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.39
HTR2A P28223 2/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 3/20 0.37
USP30 Q70CQ3 1/20 0.37
MCHR1 Q99705 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL13620001 0.87 KMT2A (0.40) CCR3TSHRKMT2AMEN1POLB
SCHEMBL1411818 0.86 MAPT (0.41) CCR3TSHRKMT2AMEN1POLB
SCHEMBL8988043 0.86 MAPT (0.43) CCR3KMT2AMEN1POLBMAPT
SCHEMBL8989797 0.84 CCR3 (0.43) CCR3HTR2AKMT2AMEN1POLB
SCHEMBL13625896 0.84 CCR3 (0.41) CCR3HTR2AKMT2AMEN1POLB
SCHEMBL11995852 0.84 EPHX1 (0.48) CCR3KMT2AMEN1POLBMAPT
SCHEMBL1411686 0.84 EPHX1 (0.48) CCR3KMT2AMEN1POLBMAPT
SCHEMBL1411780 0.84 KDM1A (0.41) HTR2APOLBMAPTMCHR1
SCHEMBL2392413 0.83 EPHX1 (0.53) CCR3KMT2AMAPTMCHR1
SCHEMBL13619983 0.83 CCR3 (0.43) CCR3HTR2AKMT2AMEN1POLB

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 CCR3 2652/4885HTR2A 544/4885TSHR 4227/4885

“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.