Sugi Predict

Sugi Predict / Compounds / SCHEMBL8988172

SCHEMBL8988172

SCHEMBL8988172

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.34
▸ S1PR2 O95136 3/20 0.34
▸ TP53 P04637 2/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ DRD4 P21917 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ REV1 Q9UBZ9 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL2391980 0.96 ALDH1A1 (0.34) OPRM1S1PR2OPRD1ALDH1A1TSHR
SCHEMBL8988081 0.88 GRIN2B (0.39) OPRM1TP53GRIN2BOPRD1MEN1
SCHEMBL2391024 0.86 ALDH1A1 (0.43) OPRM1TP53OPRD1MEN1KMT2A
SCHEMBL2390544 0.86 ALDH1A1 (0.43) OPRM1TP53OPRD1MEN1KMT2A
SCHEMBL2392494 0.84 NPC1 (0.37) OPRM1S1PR2GRIN2BOPRD1KMT2A
SCHEMBL11973796 0.84 TP53 (0.38) OPRM1S1PR2TP53OPRD1TSHR
SCHEMBL8988339 0.82 LMNA (0.39) OPRM1S1PR2TP53GRIN2BOPRD1
SCHEMBL8989907 0.82 LMNA (0.39) OPRM1S1PR2TP53GRIN2BOPRD1
SCHEMBL8988051 0.81 RAB9A (0.43) OPRM1TP53OPRD1DRD2KMT2A
SCHEMBL11973314 0.79 S1PR2 (0.37) OPRM1S1PR2TP53OPRD1MEN1

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 OPRM1 241/4885S1PR2 1386/4885TP53 2451/4885
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 OPRM1 241/4885S1PR2 1386/4885TP53 2451/4885
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 OPRM1 241/4885S1PR2 1386/4885TP53 2451/4885
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 OPRM1 241/4885S1PR2 1386/4885TP53 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.