Sugi Predict

Sugi Predict / Compounds / SCHEMBL8990003

SCHEMBL8990003

SCHEMBL8990003

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ LHCGR P22888 1/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ ACHE P22303 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
SCHEMBL8989544 0.96 SMN1; SMN2 (0.40) GPBAR1SMN1; SMN2NPC1RAB9A
SCHEMBL8989307 0.94 HPGD (0.38) DRD2DRD4DRD3SMN1; SMN2HTT
SCHEMBL9056597 0.90 SMN1; SMN2 (0.37) GPBAR1SMN1; SMN2NPC1RAB9A
SCHEMBL13525373 0.89 SLC6A4 (0.36) DRD2DRD4DRD3SMN1; SMN2MAPT
SCHEMBL8989848 0.89 RAB9A (0.43) SMN1; SMN2HTTMAPTLMNANPSR1
SCHEMBL8989317 0.84 CYP1A2 (0.42) DRD2SMN1; SMN2HTTMAPTLMNA
SCHEMBL8988738 0.84 LMNA (0.42) SMN1; SMN2HTTMAPTLMNANPC1
SCHEMBL2391310 0.84 HTT (0.40) LHCGRSMN1; SMN2HTTMAPTLMNA
SCHEMBL8989511 0.83 MAPT (0.42) MAPTLMNAGAATP53RAB9A
SCHEMBL8989514 0.83 MAPT (0.42) MAPTLMNAGAATP53RAB9A

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 DRD2 2190/4885DRD4 2347/4885DRD3 1554/4885
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 DRD2 2190/4885DRD4 2347/4885DRD3 1554/4885
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 DRD2 2190/4885DRD4 2347/4885DRD3 1554/4885
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 DRD2 2190/4885DRD4 2347/4885DRD3 1554/4885

“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.