Sugi Predict

Sugi Predict / Compounds / SCHEMBL712373

SCHEMBL712373

SCHEMBL712373

[CH2]CCOc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 4/20 0.48
▸ DRD2 P14416 3/20 0.48
▸ DRD3 P35462 3/20 0.48
▸ KCNH2 Q12809 2/20 0.48
▸ ALDH3A1 P30838 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAOB P27338 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ HRH3 Q9Y5N1 5/20 0.44
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL1077698 0.88 DRD4 (0.52) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL1045733 0.86 ALDH3A1 (0.53) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL1345118 0.85 MAOB (0.57) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL8778546 0.85 HRH3 (0.53) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL8778548 0.85 HRH3 (0.53) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL1043999 0.85 HRH3 (0.53) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL8778528 0.85 HRH3 (0.53) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL8778507 0.85 HRH3 (0.53) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL9770319 0.82 DRD4 (0.59) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL9770302 0.82 ALDH3A1 (0.62) DRD4DRD2DRD3KCNH2ALDH3A1

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 165 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108084179-B Compound with spiro structure, preparation method and application thereof 上海医药工业研究院 2021-02-05 — — CN claimed
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 — — US claimed
EP-1482931-B1 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA INC (US) 2011-10-19 — — EP claimed
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 — — US claimed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 — — US claimed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 — — US claimed
EP-2173743-A2 SODIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2010-04-14 — — EP claimed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 — — US claimed
WO-2009012242-A2 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 — — WO claimed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 — — US claimed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 — — US claimed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 — — US claimed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 — — WO claimed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 — — WO claimed
CN-1224426-A 3-descladinose-2, 3-anhydroerythromycin derivatives ABBOTT LAB (US) 1999-07-28 — — CN claimed
EP-0922050-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-06-16 — — EP claimed
US-5750510-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1998-05-12 — — US claimed
WO-1997042205-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-11-13 — — WO claimed
EP-0243959-B1 SUBSTITUTED BENZAMIDE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1992-08-19 — — EP claimed
EP-0243959-A1 Substituted benzamide derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-04 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20020107278-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E DRD4 90/4885DRD2 53/4885DRD3 135/4885
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 DRD4 4261/4885DRD2 4000/4885DRD3 3477/4885
US-20090023740-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A DRD4 3907/4885DRD2 3103/4885DRD3 3363/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 DRD4 4261/4885DRD2 4000/4885DRD3 3477/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 DRD4 56/4885DRD2 46/4885DRD3 129/4885

“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.