Sugi Predict

Sugi Predict / Compounds / SCHEMBL8990027

SCHEMBL8990027

SCHEMBL8990027

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ DRD4 P21917 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ TP53 P04637 4/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ MAPT P10636 3/20 0.33
▸ PROKR1 Q8TCW9 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ SSTR2 P30874 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ LHCGR P22888 1/20 0.32

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
SCHEMBL8989588 0.92 EPHX2 (0.39) EPHX2
SCHEMBL8988951 0.90 ALDH1A1 (0.44) ALDH1A1NPSR1DRD4DRD2DRD3
SCHEMBL9054530 0.88 EPHX2 (0.42) EPHX2
SCHEMBL8990047 0.85 ALDH1A1 (0.40) ALDH1A1DRD4DRD2DRD3TP53
SCHEMBL17054426 0.84 EPHX2 (0.38) ALDH1A1EPHX2LMNAHTT
SCHEMBL8989317 0.81 CYP1A2 (0.42) ALDH1A1DRD2MAPTSMN1; SMN2NPC1
SCHEMBL13619993 0.81 RIPK1 (0.38) ALDH1A1NPSR1DRD4DRD2DRD3
SCHEMBL8989313 0.81 SMN1; SMN2 (0.46) ALDH1A1TP53MAPTSMN1; SMN2NPC1
SCHEMBL8989766 0.80 MAPT (0.47) ALDH1A1TP53EPHX2MAPTTSHR
SCHEMBL8989307 0.80 HPGD (0.38) ALDH1A1DRD4DRD2DRD3TP53

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 466/4885NPSR1 1233/4885DRD4 2347/4885
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 ALDH1A1 466/4885NPSR1 1233/4885DRD4 2347/4885
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 ALDH1A1 466/4885NPSR1 1233/4885DRD4 2347/4885

“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.