SCHEMBL844498

SCHEMBL844498

Cc1ccc(S(=O)(=O)OC[C@H]2CCN(C(=O)OCc3ccccc3)C[C@H]2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GRIN2B Q13224 3/20 0.47
CYP2C19 P33261 1/20 0.47
F13A1 P00488 3/20 0.46
TGM2 P21980 3/20 0.46
TGM1 P22735 3/20 0.46
MMP1 P03956 2/20 0.45
MMP3 P08254 2/20 0.45
MMP7 P09237 2/20 0.45
MMP9 P14780 2/20 0.45
MMP13 P45452 1/20 0.45
MMP2 P08253 1/20 0.44
MMP8 P22894 1/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
ELANE P08246 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
SCHEMBL844497 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL5357194 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL14438448 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL5452029 0.88 GRIN2B (0.53) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL4828216 0.85 GRIN2B (0.61) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL3789109 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL3615713 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL8788495 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL7350346 0.84 BCL9 (0.48) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL5501024 0.84 CYP2D6 (0.44) NPC1RAB9ALMNA

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 48 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-7217716-B2 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK & CO., INC. (US) 2007-05-15 US disclosed
US-7217716-B2 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK & CO., INC. (US) 2007-05-15 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
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease PFIZER INC 2006-06-01 US disclosed
US-7053089-B2 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK & CO., INC. (US) 2006-05-30 US disclosed
EP-1379520-B1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2006-04-26 EP 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-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
US-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-09-18 US 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-2003037896-A1 N-AZABICYCLO-SUBSTITUTED HETERO-BICYCLIC CARBOXAMIDES AS NACHR AGONISTS PHARMACIA & UPJOHN COMPANY (US) 2003-05-08 WO disclosed
US-20030055043-A1 Substituted azabicyclic moieties for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-20 US disclosed
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK SHARP & DOHME LLC 2002-11-07 US disclosed
WO-2002068409-A1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-09-06 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 (9 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-20030232853-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 SMN1; SMN2 1136/4885NPC1 284/4885RAB9A 1279/4885
US-20030130305-A1 Azabicyclic-phenyl-fused-heterocyclic compounds for treatment of disease TPMT, PAICS, MALT1 SMN1; SMN2 1644/4885NPC1 172/4885RAB9A 954/4885
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 SMN1; SMN2 1836/4885NPC1 114/4885RAB9A 486/4885
US-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 SMN1; SMN2 502/4885NPC1 484/4885RAB9A 1284/4885
US-20030055043-A1 Substituted azabicyclic moieties for the treatment of disease CHRNA1, CHRNA7, CHRNA5 SMN1; SMN2 186/4885NPC1 521/4885RAB9A 1748/4885
US-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease CYP1B1, ABCB1, NAT1 SMN1; SMN2 2389/4885NPC1 220/4885RAB9A 1422/4885
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 SMN1; SMN2 1751/4885NPC1 224/4885RAB9A 1437/4885
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease CYP7B1, P2RX7, CYP3A7 SMN1; SMN2 1326/4885NPC1 866/4885RAB9A 1128/4885
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists GRIN1, GRIN2B, GRIN2A SMN1; SMN2 505/4885NPC1 1808/4885RAB9A 2834/4885

“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.