SCHEMBL2462297

SCHEMBL2462297

C=CCN1CC[C@@]2(C)c3cc(O)cc([N+](=O)[O-])c3N(C)C12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
SIGMAR1 Q99720 5/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 1/20 0.44
EBP Q15125 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 2/20 0.43
PMP22 Q01453 2/20 0.43
KDM4E B2RXH2 3/20 0.41
TP53 P04637 2/20 0.41
ALOX15 P16050 2/20 0.41
MAPT P10636 2/20 0.41
MTOR P42345 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL2462293 1.00 BCHE (0.48) BCHEACHESIGMAR1CYP1A2CYP3A4
SCHEMBL2460461 0.89 BCHE (0.38) BCHEACHESIGMAR1CYP1A2CYP3A4
SCHEMBL2460463 0.89 BCHE (0.38) BCHEACHESIGMAR1CYP1A2CYP3A4
SCHEMBL9538406 0.89 BCHE (0.38) BCHEACHESIGMAR1CYP1A2CYP3A4
SCHEMBL2456414 0.85 KDM4E (0.56) BCHEACHESIGMAR1CYP1A2CYP3A4
SCHEMBL2456411 0.85 KDM4E (0.56) BCHEACHESIGMAR1CYP1A2CYP3A4
SCHEMBL2455595 0.84 OPRM1 (0.51) SIGMAR1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL8863169 0.84 OPRM1 (0.51) SIGMAR1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL2455192 0.82 BCHE (0.48) BCHEACHESIGMAR1CYP1A2CYP3A4
SCHEMBL2455194 0.82 BCHE (0.48) BCHEACHESIGMAR1CYP1A2CYP3A4

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
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 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-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
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-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 (1 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 BCHE 1102/4885ACHE 1597/4885SIGMAR1 4557/4885

“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.