SCHEMBL8990016

SCHEMBL8990016

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.44
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.39
KCNQ2 O43526 1/20 0.38
EPHX2 P34913 3/20 0.38
ALDH1A1 P00352 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
CCKBR P32239 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CNR1 P21554 2/20 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
SCHEMBL8989648 0.95 MEN1 (0.43) DRD4MEN1KMT2ACYP2C9CYP2C19
SCHEMBL8990113 0.95 DRD4 (0.43) DRD4MEN1KMT2AMAPTKCNQ2
SCHEMBL8990120 0.93 DRD4 (0.46) DRD4MEN1KMT2AMAPTKCNQ2
SCHEMBL8989632 0.90 NPC1 (0.41) DRD4KMT2AMAPTEPHX2ALDH1A1
SCHEMBL8989619 0.88 EPHX2 (0.42) DRD4MEN1KMT2ACYP2C9CYP2C19
SCHEMBL8990048 0.85 DRD4 (0.43) DRD4KCNQ2EPHX2CCKBRSLC6A2
SCHEMBL8990074 0.85 CCR3 (0.41) MEN1KMT2ACYP2C19MAPTALDH1A1
SCHEMBL8989746 0.85 CCR3 (0.43) MEN1KMT2ACYP2C19MAPTEPHX2
SCHEMBL8988043 0.84 MAPT (0.43) MEN1KMT2AMAPTALDH1A1HTR1A
SCHEMBL9058150 0.83 MEN1 (0.35) DRD4MEN1KMT2ACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 DRD4 2347/4885MEN1 2028/4885KMT2A 2180/4885
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 DRD4 2347/4885MEN1 2028/4885KMT2A 2180/4885
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 DRD4 2347/4885MEN1 2028/4885KMT2A 2180/4885

“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.