SCHEMBL5244233

SCHEMBL5244233

O=C(C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)N1CCN(c2ccncc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.67
AKR1C3 P42330 3/20 0.63
F10 P00742 2/20 0.62
LMNA P02545 2/20 0.60
MAPK1 P28482 2/20 0.60
USP2 O75604 1/20 0.60
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60
POLB P06746 1/20 0.60
EIF2AK3 Q9NZJ5 1/20 0.60
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
LSS P48449 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
SCHEMBL15102072 0.91 CHRM1 (0.79) CHRM1F10LMNAMAPK1USP2
SCHEMBL1387222 0.88 TSHR (0.76) CHRM1F10LMNAMAPK1USP2
SCHEMBL6181646 0.88 AKR1C3 (0.64) CHRM1AKR1C3F10LMNAMAPK1
SCHEMBL6798769 0.87 F10 (0.76) CHRM1F10LMNAMAPK1USP2
SCHEMBL1387210 0.86 F10 (0.82) CHRM1F10LMNAMAPK1USP2
SCHEMBL5489738 0.81 ATM (0.71) CHRM1F10LMNAMAPK1USP2
SCHEMBL15102010 0.80 CHRM1 (1.00) CHRM1F10
SCHEMBL1387218 0.80 F10 (0.61) CHRM1AKR1C3F10LMNAMAPK1
SCHEMBL6797014 0.79 F10 (0.62) CHRM1F10LMNAMAPK1USP2
SCHEMBL15102035 0.79 CHRM1 (0.81) CHRM1LSS

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866285-A1 1-SULFONYL-PIPERDINE-3-CARBOXYLIC ACID AMIDE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE FOR THE TREATMENT OF TYPE II DIABETES MELLITUS F. Hoffmann-Roche AG (CH) 2007-12-19 EP disclosed
WO-2006094633-A1 1- SULFONYL-PI PERDINE- 3 -CARBOXYL I C ACID AMIDE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE FOR THE TREATMENT OF TYPE II DIABETES MELLITUS F. HOFFMAN-LA ROCHE AG (CH) 2006-09-14 WO disclosed
US-20060199816-A1 Aryl sulfonyl piperidines GILLESPIE PAUL 2006-09-07 US disclosed
US-6730672-B2 PROTEASE INHIBITOR ZENECA LIMITED (GB) 2004-05-04 US disclosed
US-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2002-08-29 US disclosed
US-6225309-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2001-05-01 US disclosed
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0783500-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 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 (2 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-20060199816-A1 Aryl sulfonyl piperidines GPR119, SLC5A2, GLS2 CHRM1 3334/4885AKR1C3 1262/4885F10 4780/4885
US-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents SERPINC1, F2, SULT1E1 CHRM1 232/4885AKR1C3 924/4885F10 35/4885

“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.