SCHEMBL843091

SCHEMBL843091

O=C(O)[C@H]1CC(=O)N(CCc2ccccc2)C1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.77
HPGD P15428 1/20 0.67
POLB P06746 3/20 0.62
TP53 P04637 1/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
L3MBTL1 Q9Y468 3/20 0.61
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 1/20 0.60
HTT P42858 1/20 0.60
CYP2D6 P10635 1/20 0.59
SMAD3 P84022 1/20 0.59
ATM Q13315 1/20 0.59
GFER P55789 1/20 0.57
GAA P10253 1/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL1263215 1.00 SMN1; SMN2 (0.77) SMN1; SMN2HPGDPOLBTP53MEN1
SCHEMBL5390794 1.00 SMN1; SMN2 (0.77) SMN1; SMN2HPGDPOLBTP53MEN1
SCHEMBL7462577 0.91 SMN1; SMN2 (0.65) SMN1; SMN2HPGDPOLBTP53MEN1
SCHEMBL14662009 0.88 SMN1; SMN2 (0.65) SMN1; SMN2HPGDPOLBTP53MEN1
SCHEMBL12741625 0.87 SMN1; SMN2 (0.76) SMN1; SMN2HPGDPOLBTP53MEN1
SCHEMBL5781007 0.85 POLB (0.68) SMN1; SMN2HPGDPOLBTP53MEN1
SCHEMBL2183180 0.85 POLB (0.68) SMN1; SMN2HPGDPOLBTP53MEN1
SCHEMBL5069460 0.85 POLB (0.68) SMN1; SMN2HPGDPOLBTP53MEN1
SCHEMBL1902358 0.84 SMN1; SMN2 (0.76) SMN1; SMN2HPGDKMT2AL3MBTL1ALDH1A1
SCHEMBL2314610 0.84 SMN1; SMN2 (0.74) SMN1; SMN2POLBTP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP claimed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO claimed
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP disclosed
WO-2008157365-A2 VINYLAZACYCLOALKANES FOR TREATING NEUROPATHIC PAIN TARGACEPT, INC. (US) 2008-12-24 WO disclosed
EP-1987034-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2008-11-05 EP disclosed
WO-2007100670-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 WO 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-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease PFIZER INC 2006-06-01 US disclosed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
CN-1735441-A Combination for treating attention deficit hyperactivity disorder PHARMACIA & UPJOHN CO LLC (US) 2006-02-15 CN disclosed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS 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
WO-2002102793-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-27 WO disclosed
WO-2002096908-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-05 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 (4 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 SMN1; SMN2 1644/4885HPGD 244/4885POLB 351/4885
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 SMN1; SMN2 1836/4885HPGD 879/4885POLB 307/4885
US-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 SMN1; SMN2 446/4885HPGD 794/4885POLB 1866/4885
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease CYP7B1, P2RX7, CYP3A7 SMN1; SMN2 1326/4885HPGD 787/4885POLB 1473/4885

“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.