SCHEMBL8990113

SCHEMBL8990113

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.43
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
FBP1 P09467 1/20 0.38
MEN1 O00255 1/20 0.38
MARS1 P56192 1/20 0.38
EPHX1 P07099 3/20 0.37
KCNQ2 O43526 1/20 0.37
CCR3 P51677 5/20 0.37
HTR2A P28223 2/20 0.37
EPHX2 P34913 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 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 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
SCHEMBL8989632 0.95 NPC1 (0.41) DRD4KMT2ANPC1MITFMAPT
SCHEMBL8990016 0.95 DRD4 (0.44) DRD4KMT2AMAPTMEN1KCNQ2
SCHEMBL8990120 0.91 DRD4 (0.46) DRD4KMT2ANPC1MAPTMEN1
SCHEMBL8989648 0.90 MEN1 (0.43) DRD4KMT2ANPC1MAPTMEN1
SCHEMBL8989619 0.86 EPHX2 (0.42) DRD4KMT2ANPC1MAPTRAB9A
SCHEMBL8990132 0.85 CCR3 (0.43) KMT2ANPC1MITFMAPTRAB9A
SCHEMBL8989749 0.85 MAPT (0.46) KMT2ANPC1MITFMAPTRAB9A
SCHEMBL1411686 0.85 EPHX1 (0.48) KMT2ANPC1MITFMAPTRAB9A
SCHEMBL11995852 0.85 EPHX1 (0.48) KMT2ANPC1MITFMAPTRAB9A
SCHEMBL8989766 0.84 MAPT (0.47) KMT2ANPC1MITFMAPTRAB9A

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 7 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
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 DRD4 2347/4885KMT2A 2180/4885NPC1 609/4885
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 DRD4 2347/4885KMT2A 2180/4885NPC1 609/4885
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 DRD4 2347/4885KMT2A 2180/4885NPC1 609/4885
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 DRD4 2347/4885KMT2A 2180/4885NPC1 609/4885

“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.