SCHEMBL8989307

SCHEMBL8989307

COC(=O)Nc1cc2c3c(c1)C(c1ccc(C)cc1)CCN3CCC2c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 3/20 0.37
MAPT P10636 3/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A3 Q01959 5/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 2/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 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
SCHEMBL13525373 0.94 SLC6A4 (0.36) HPGDALDH1A1TP53MAPTDRD2
SCHEMBL8990003 0.94 DRD2 (0.40) TP53MAPTDRD2DRD4DRD3
SCHEMBL8989848 0.94 RAB9A (0.43) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL8989317 0.90 CYP1A2 (0.42) ALDH1A1MAPTDRD2NPC1RAB9A
SCHEMBL8988738 0.89 LMNA (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8989544 0.89 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2SLC6A3SLC6A2
SCHEMBL2391310 0.89 HTT (0.40) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL8989331 0.87 ALDH1A1 (0.43) HPGDALDH1A1DRD2DRD4DRD3
SCHEMBL14899285 0.87 ALDH1A1 (0.43) HPGDALDH1A1DRD2DRD4DRD3
SCHEMBL8989313 0.87 SMN1; SMN2 (0.46) HPGDALDH1A1TP53MAPTNPC1

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 16 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-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-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-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-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-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
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2010-01-14 US disclosed
WO-2009137681-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-IJ] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2009-11-12 WO 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 HPGD 105/4885ALDH1A1 466/4885TP53 2451/4885
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 HPGD 105/4885ALDH1A1 466/4885TP53 2451/4885
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 HPGD 105/4885ALDH1A1 466/4885TP53 2451/4885
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 HPGD 105/4885ALDH1A1 466/4885TP53 2451/4885

“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.