SCHEMBL701295

SCHEMBL701295

c1ccc(CN2CCC(CCN3CCCC3)(c3cccnc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.55
CHRNA4 P43681 1/20 0.55
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CHRM2 P08172 1/20 0.47
OPRL1 P41146 2/20 0.46
POLB P06746 1/20 0.45
OPRM1 P35372 2/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
CCR2 P41597 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL702465 0.83 ALDH1A1 (0.57) CHRNB2CHRNA4ALDH1A1LMNACHRM2
SCHEMBL10283138 0.83 CHRNB2 (0.44) CHRNB2CHRNA4LMNA
SCHEMBL703558 0.82 CHRM2 (0.51) CHRNB2CHRNA4ALDH1A1LMNACHRM2
SCHEMBL698464 0.81 MEN1 (0.46) CHRNB2CHRNA4ALDH1A1LMNACHRM2
SCHEMBL701862 0.80 CHRNB2 (0.44) CHRNB2CHRNA4ALDH1A1LMNACYP3A4
SCHEMBL13660755 0.80 CHRNB2 (0.50) CHRNB2CHRNA4ALDH1A1LMNACHRM2
SCHEMBL639574 0.77 OPRL1 (0.73) CHRNB2CHRNA4ALDH1A1LMNACHRM2
SCHEMBL709333 0.76 MEN1 (0.47) CHRNB2CHRNA4ALDH1A1LMNAOPRM1
SCHEMBL3408748 0.75 OPRM1 (0.57) CHRNB2CHRNA4ALDH1A1LMNACHRM2
SCHEMBL25053641 0.75 ADRB3 (0.43) ALDH1A1LMNACHRM2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
EP-2262791-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-22 EP disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009124734-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 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 (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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 CHRNB2 888/4885CHRNA4 977/4885ALDH1A1 958/4885

“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.