SCHEMBL8990046

SCHEMBL8990046

Cc1ccc([C@@H]2CCN3CC[C@@H](c4ccc(F)cc4)c4cc(NC(=O)NC(C)(C)C)cc2c43)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
ACKR3 P25106 3/20 0.40
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.37
CCKBR P32239 3/20 0.37
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
PDGFRA P16234 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
SCHEMBL8989610 0.96 HTT (0.40) RAB9ANPC1MAPTACKR3KMT2A
SCHEMBL8990045 0.86 RAB9A (0.41) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL8989656 0.85 TRPM8 (0.41) ACKR3EPHX2
SCHEMBL2389167 0.85 CCKBR (0.39) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL8989641 0.84 KCNQ2 (0.42) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL8990048 0.84 DRD4 (0.43) NPC1HTTCCKBREPHX2
SCHEMBL8989848 0.84 RAB9A (0.43) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL8990074 0.84 CCR3 (0.41) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL8990143 0.83 TRPM8 (0.40) ACKR3EPHX2
SCHEMBL8990132 0.82 CCR3 (0.43) RAB9ANPC1MAPTKMT2ASMN1; SMN2

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 RAB9A 977/4885NPC1 609/4885MAPT 3441/4885
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 RAB9A 977/4885NPC1 609/4885MAPT 3441/4885
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 RAB9A 977/4885NPC1 609/4885MAPT 3441/4885
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 RAB9A 977/4885NPC1 609/4885MAPT 3441/4885

“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.