SCHEMBL2456790

SCHEMBL2456790

CN1CC[C@@]2(C)c3cc(O)cc(Br)c3N(C)C12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
CYP2D6 P10635 3/20 0.59
TP53 P04637 2/20 0.59
ALOX15 P16050 2/20 0.59
MAPT P10636 2/20 0.59
CYP1A2 P05177 2/20 0.59
HIF1A Q16665 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MTOR P42345 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
THPO P40225 1/20 0.59
HSD17B10 Q99714 1/20 0.59
FTO Q9C0B1 1/20 0.59
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
BLM P54132 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50

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
SCHEMBL2456789 1.00 KDM4E (0.59) KDM4ECYP2D6TP53ALOX15MAPT
SCHEMBL9536827 1.00 KDM4E (0.59) KDM4ECYP2D6TP53ALOX15MAPT
Acetic Acid SCHEMBL2598855 0.94 KDM4E (0.54) KDM4ECYP2D6TP53ALOX15MAPT
Acetic Acid SCHEMBL8827757 0.93 KDM4E (0.53) KDM4ECYP2D6TP53ALOX15MAPT
Pivalate SCHEMBL8827801 0.89 KDM4E (0.50) KDM4ECYP2D6TP53ALOX15MAPT
Phenylacetic Acid SCHEMBL9538233 0.85 KDM4E (0.48) KDM4ECYP2D6TP53ALOX15MAPT
Diphenylacetic Acid SCHEMBL8827826 0.85 KDM4E (0.48) KDM4ECYP2D6TP53ALOX15MAPT
SCHEMBL9537590 0.84 KDM4E (0.60) KDM4ECYP2D6TP53ALOX15MAPT
SCHEMBL9537593 0.84 KDM4E (0.60) KDM4ECYP2D6TP53ALOX15MAPT
SCHEMBL9539147 0.84 OPRM1 (0.44) KDM4ECYP2D6TP53ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275959-A1 Carbamoyl Esters That Inhibit Cholinesterase And Release Pharmacologically Active Agents SENTION, INC. 2007-11-29 US claimed
US-20050096387-A1 Carbamoyl esters that inhibit cholinesterase and release pharmacologically active agents SENTION, INC. (US) 2005-05-05 US claimed
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 claimed
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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 US disclosed
US-7897639-B2 Amine group that, upon hydrolysis, becomes a component of a pharmacologically active agent for treatment of nervous system disordres COLUCID PHARMACEUTICALS, INC. (US) 2011-03-01 US disclosed
US-7795307-B2 Carbamoyl esters that inhibit cholinesterase and release pharmacologically active agents COLUCID PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
US-20050096387-A1 Carbamoyl esters that inhibit cholinesterase and release pharmacologically active agents SENTION, INC. (US) 2005-05-05 US 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-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-5187165-A Eseroline derivatives; cholinergic agents; antidepressants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-02-16 US 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-0260938-A2 Erythromycin A derivatives and method for preparing the same TAISHO PHARMACEUTICAL CO. LTD (JP) 1988-03-23 EP 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

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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF KDM4E 2360/4885CYP2D6 4689/4885TP53 4842/4885
US-20070275959-A1 Carbamoyl Esters That Inhibit Cholinesterase And Release Pharmacologically Active Agents ACHE, BCHE, CHAT KDM4E 201/4885CYP2D6 382/4885TP53 4290/4885
US-20050096387-A1 Carbamoyl esters that inhibit cholinesterase and release pharmacologically active agents ACHE, BCHE, CHAT KDM4E 136/4885CYP2D6 546/4885TP53 3959/4885

“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.