SCHEMBL842765

SCHEMBL842765

CCOC(=O)/C=C/CNCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 3/20 0.48
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
PPID Q08752 1/20 0.47
MDM2 Q00987 2/20 0.46
MDM4 O15151 1/20 0.46
TK1 P04183 1/20 0.45
NAMPT P43490 1/20 0.45
RAB9A P51151 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
CTSL P07711 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL842766 1.00 MAPT (0.60) MAPTSMN1; SMN2LMNAALDH1A1THRB
SCHEMBL14577510 1.00 MAPT (0.60) MAPTSMN1; SMN2LMNAALDH1A1THRB
SCHEMBL8795527 0.86 RAB9A (0.48) MAPTSMN1; SMN2LMNAALDH1A1TK1
SCHEMBL4149359 0.86 LMNA (0.45) MAPTSMN1; SMN2LMNAALDH1A1RAB9A
SCHEMBL4149354 0.86 LMNA (0.45) MAPTSMN1; SMN2LMNAALDH1A1RAB9A
SCHEMBL6263496 0.80 MAPT (0.57) MAPTLMNAALDH1A1THRBMDM2
SCHEMBL6263498 0.80 MAPT (0.57) MAPTLMNAALDH1A1THRBMDM2
SCHEMBL8331589 0.79 ALDH1A1 (0.56) LMNAALDH1A1TK1CYP2D6CYP2C19
SCHEMBL6014410 0.79 ALDH1A1 (0.56) LMNAALDH1A1TK1CYP2D6CYP2C19
Acrylic Acid Ethyl Ester SCHEMBL7200790 0.79 SMN1; SMN2 (0.61) MAPTSMN1; SMN2LMNAALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP disclosed
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP disclosed
US-7176198-B2 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2007-02-13 US disclosed
US-7176198-B2 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2007-02-13 US disclosed
US-7176198-B2 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2007-02-13 US disclosed
CN-1764456-A Treatment of related diseases using full alpha-7 nACh receptor agonists PHARMACIA & UPJOHN CO LLC (US) 2006-04-26 CN disclosed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists PFIZER INC 2006-01-26 US disclosed
EP-1389208-B1 SUBSTITUTED AZABICYCLIC MOIETIES FOR THE TREATMENT OF DISEASE (NICOTINIC ACETHYLCHOLINE RECEPTOR AGONISTS) PHARMACIA & UPJOHN CO LLC (US) 2005-12-28 EP disclosed
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CORBETT JEFFREY W 2005-11-03 US disclosed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-08-14 US disclosed
US-20030130305-A1 Azabicyclic-phenyl-fused-heterocyclic compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-07-10 US disclosed
WO-2003042210-A1 AZABICYCLIC-PHENYL-FUSED-HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALPHA7 NACHR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-05-22 WO disclosed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO disclosed
WO-2003037896-A1 N-AZABICYCLO-SUBSTITUTED HETERO-BICYCLIC CARBOXAMIDES AS NACHR AGONISTS PHARMACIA & UPJOHN COMPANY (US) 2003-05-08 WO disclosed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 WO disclosed
US-20030055043-A1 Substituted azabicyclic moieties for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-20 US disclosed
WO-2002085901-A1 SUBSTITUTED AZABICYCLIC MOIETIES FOR THE TREATMENT OF DISEASE (NICOTINIC ACETHYLCHOLINE RECEPTOR AGONISTS) PHARMACIA & UPJOHN COMPANY (US) 2002-10-31 WO 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 (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-20030130305-A1 Azabicyclic-phenyl-fused-heterocyclic compounds for treatment of disease TPMT, PAICS, MALT1 MAPT 3151/4885SMN1; SMN2 1644/4885LMNA 3742/4885
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CHRNA7, CHRNG, CHRNE MAPT 322/4885SMN1; SMN2 394/4885LMNA 878/4885
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 MAPT 3838/4885SMN1; SMN2 1836/4885LMNA 3885/4885
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists CHRNA7, CHRNA1, CHRNG MAPT 2082/4885SMN1; SMN2 915/4885LMNA 1647/4885
US-20030055043-A1 Substituted azabicyclic moieties for the treatment of disease CHRNA1, CHRNA7, CHRNA5 MAPT 3673/4885SMN1; SMN2 186/4885LMNA 3159/4885

“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.