SCHEMBL2598853

SCHEMBL2598853

CC(=O)Oc1cc(Br)c2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.50
BCHE P06276 10/20 0.50
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP2D6 P10635 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
LMNA P02545 1/20 0.50
PTGS1 P23219 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
BLM P54132 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL2598854 1.00 ACHE (0.50) ACHEBCHEKDM4EALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL8827752 0.99 ACHE (0.49) ACHEBCHEKDM4EALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL8827744 0.99 ACHE (0.49) ACHEBCHEKDM4EALDH1A1CYP2D6
SCHEMBL9207697 0.93 ACHE (0.50) ACHEBCHEKDM4EALDH1A1CYP2D6
SCHEMBL9207707 0.93 ACHE (0.50) ACHEBCHEKDM4EALDH1A1CYP2D6
SCHEMBL9207689 0.92 ACHE (0.51) ACHEBCHEKDM4EALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL8827794 0.87 ACHE (0.49) ACHEBCHEKDM4EALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL8827796 0.87 ACHE (0.49) ACHEBCHEKDM4EALDH1A1CYP2D6
SCHEMBL9216999 0.86 ACHE (0.48) ACHEBCHEKDM4EALDH1A1CYP2D6
SCHEMBL9206289 0.86 ACHE (0.48) ACHEBCHEKDM4EALDH1A1CYP2D6

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011146819-A2 METHODS AND COMPOSITIONS FOR TREATMENT NF-κB-MEDIATED AND α7 INTEGRIN-SUPPRESSED DISEASES DMD THERAPIES, LLC (US) 2011-11-24 WO disclosed
US-5663190-A INHIBITORS OF ACETYLCHOLINESTERASE, TREATMENT OF ALZHEIMER*S DISEASE HOECHST MARION ROUSSEL, INC. (US) 1997-09-02 US disclosed
US-5639892-A ANTIDEPRESSANTS, ALZHEIMER'S DISEASE HOECHST-MARION-ROUSSEL, INC. (US) 1997-06-17 US disclosed
US-5621114-A REACTING A THIO OR PHENOL COMPOUND WITH 1,1-CARBONYLIMIDAZOLE OR 1,1-THIOCARBONYLDIIMIDAZOLE, REACTING THE INTERMEDIATE WITH SECONDARY AMINE COMPOUND; USEFUL AS ANALGESIC AND MEMORY ENHANCING AGENT HOECHST MARION ROUSSEL, INC. (US) 1997-04-15 US disclosed
US-5550254-A REACTING CARBOXYLIC ACID WITH CARBONYLDIIMIDAZOLE OR THIOCARBONYLDIIMIDAZOLE, ADDING PHENOL OR THIOPHENOL COMPOUND HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-08-27 US disclosed
US-5550253-A REACTING PHENOL OR THIOPHENOL DERIVATIVE WITH LOWER ALKYL P-TOLUENESULFONATE, OPTIONALLY REDUCING NITRO GROUPS TO AMINO GROUPS AND ACYLATING OR ALKYLATING THEM HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-08-27 US disclosed
US-5547977-A Memory enhancing and analgesic 1,2,3,3A,8,8A-hexahydro-3A,8(and 1,3A,8)-di (and Tri) methylpyrrolo (2,3-B) indoles HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-08-20 US disclosed
US-5541340-A Method of preparing 1,2,3,3a,8,8a-hexahydro-3a,8(and 1,3a,8)-Di(and Tri)methylpyrrolo[2,3,-b] indoles HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-07-30 US disclosed
US-5541216-A Memory enhancing and analgsic 1,2,3,3A,8,8A-Hexahydro--3A, 8(And1,3A,8)-Di (and Tri) Methylpyrrolo(2,3-B Indoles HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-07-30 US disclosed
EP-0253372-B1 1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indoles, a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1994-09-28 EP disclosed
US-4791107-A Memory enhancing and analgesic 1,2,3,3A,8,8A-hexahydro-3A,8 (and) 1,3A,8)-di(and tri)methylpyrrolo(2,3-B)indoles, compositions and use HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-12-13 US disclosed
EP-0253372-A2 1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indoles, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-01-20 EP disclosed