SCHEMBL8990132

SCHEMBL8990132

CCCCNC(=O)Nc1cc2c3c(c1)[C@H](c1ccc(F)cc1)CCN3CC[C@H]2c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.43
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 5/20 0.43
SLC6A3 Q01959 5/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MITF O75030 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 2/20 0.39
ALOX15 P16050 1/20 0.39
EPHX2 P34913 1/20 0.39
HTR3A P46098 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8989749 0.96 MAPT (0.46) CCR3SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL8989766 0.95 MAPT (0.47) CCR3MAPTNPC1RAB9AMITF
SCHEMBL8990074 0.94 CCR3 (0.41) CCR3SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL8990045 0.90 RAB9A (0.41) CCR3SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL8989746 0.90 CCR3 (0.43) CCR3SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL11995852 0.86 EPHX1 (0.48) CCR3MAPTNPC1RAB9AMITF
SCHEMBL1411686 0.86 EPHX1 (0.48) CCR3MAPTNPC1RAB9AMITF
SCHEMBL8989600 0.86 RECQL (0.41) CCR3SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL8989632 0.86 NPC1 (0.41) CCR3SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL8990113 0.85 DRD4 (0.43) CCR3SLC6A2SLC6A4SLC6A3MAPT

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 CCR3 2650/4885SLC6A2 283/4885SLC6A4 640/4885
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 CCR3 2650/4885SLC6A2 283/4885SLC6A4 640/4885
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 CCR3 2650/4885SLC6A2 283/4885SLC6A4 640/4885
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 CCR3 2650/4885SLC6A2 283/4885SLC6A4 640/4885

“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.