SCHEMBL8989648

SCHEMBL8989648

CCCNC(=O)Nc1cc2c3c(c1)[C@H](c1cccc(F)c1)CCN3CC[C@H]2c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.42
EPHX2 P34913 1/20 0.41
DRD4 P21917 1/20 0.39
KCNQ2 O43526 1/20 0.39
CNR1 P21554 2/20 0.38
MARS1 P56192 1/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
NPC1 O15118 1/20 0.37
CCR3 P51677 3/20 0.37
HTR2A P28223 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALOX15 P16050 1/20 0.36
BRD4 O60885 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
SCHEMBL8990016 0.95 DRD4 (0.44) MEN1KMT2ACYP2C9CYP2C19MAPT
SCHEMBL8989632 0.94 NPC1 (0.41) KMT2AMAPTEPHX2DRD4CNR1
SCHEMBL8989619 0.92 EPHX2 (0.42) MEN1KMT2ACYP2C9CYP2C19MAPT
SCHEMBL8990113 0.90 DRD4 (0.43) MEN1KMT2AMAPTEPHX2DRD4
SCHEMBL8989746 0.89 CCR3 (0.43) MEN1KMT2ACYP2C19MAPTEPHX2
SCHEMBL8988043 0.89 MAPT (0.43) MEN1KMT2AMAPTCCR3BRD4
SCHEMBL8990120 0.87 DRD4 (0.46) MEN1KMT2AMAPTEPHX2DRD4
SCHEMBL9058150 0.87 MEN1 (0.35) MEN1KMT2ACYP2C9CYP2C19MAPT
SCHEMBL8988301 0.85 KMT2A (0.44) MEN1KMT2ACYP2C9CYP2C19MAPT
SCHEMBL8990074 0.85 CCR3 (0.41) MEN1KMT2ACYP2C19MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2294069-B1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO[3,2,1-IJ]QUINOLINE COMPOUNDS ALLERGAN INC (US) 2015-09-02 EP disclosed
US-8431702-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2013-04-30 US disclosed
US-8431702-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2013-04-30 US disclosed
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2012-12-06 US disclosed
US-8309729-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2012-11-13 US disclosed
US-20120214838-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2012-08-23 US disclosed
US-8188279-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2012-05-29 US disclosed
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2011-09-29 US disclosed
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2010-01-14 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 (4 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-20120214838-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 MEN1 2028/4885KMT2A 2180/4885CYP2C9 1791/4885
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 MEN1 2028/4885KMT2A 2180/4885CYP2C9 1791/4885
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 MEN1 2028/4885KMT2A 2180/4885CYP2C9 1791/4885
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 MEN1 2028/4885KMT2A 2180/4885CYP2C9 1791/4885

“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.