SCHEMBL8990047

SCHEMBL8990047

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 5/20 0.38
NPC1 O15118 5/20 0.38
TP53 P04637 4/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 6/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.34
LHCGR P22888 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8989586 0.92 PAX8 (0.41) MAPT
SCHEMBL9054538 0.86 EPHX2 (0.39) ALDH1A1MAPTLHCGRMEN1KMT2A
SCHEMBL8990027 0.85 ALDH1A1 (0.36) ALDH1A1RAB9ANPC1TP53TSHR
SCHEMBL8989307 0.84 HPGD (0.38) ALDH1A1RAB9ANPC1TP53TSHR
SCHEMBL8989575 0.82 DRD4 (0.39) RAB9ANPC1TP53TSHRSMN1; SMN2
SCHEMBL8989317 0.81 CYP1A2 (0.42) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8990003 0.80 DRD2 (0.40) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL8989848 0.80 RAB9A (0.43) ALDH1A1RAB9ANPC1TSHRSMN1; SMN2
SCHEMBL13525373 0.80 SLC6A4 (0.36) ALDH1A1RAB9ANPC1TP53TSHR
SCHEMBL8989313 0.79 SMN1; SMN2 (0.46) ALDH1A1RAB9ANPC1TP53SMN1; 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 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 ALDH1A1 466/4885RAB9A 977/4885NPC1 609/4885
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 ALDH1A1 466/4885RAB9A 977/4885NPC1 609/4885
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 ALDH1A1 466/4885RAB9A 977/4885NPC1 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.