SCHEMBL698466

SCHEMBL698466

O=CC1(c2cccnc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
CHRM2 P08172 2/20 0.53
OPRL1 P41146 2/20 0.49
OPRM1 P35372 2/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
POLB P06746 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
CYP2D6 P10635 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM3 P20309 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL10965632 0.86 OPRL1 (0.59) ALDH1A1CHRM2OPRL1OPRM1POLB
SCHEMBL703558 0.82 CHRM2 (0.51) ALDH1A1LMNACHRM2OPRL1OPRM1
SCHEMBL10246340 0.82 ALDH1A1 (0.49) ALDH1A1LMNACHRM2OPRL1OPRM1
SCHEMBL10283136 0.82 ALDH1A1 (0.49) ALDH1A1LMNACHRM2OPRL1OPRM1
SCHEMBL639574 0.80 OPRL1 (0.73) ALDH1A1LMNACHRM2OPRL1OPRM1
SCHEMBL6422989 0.80 CHRM2 (0.59) ALDH1A1LMNACHRM2OPRL1OPRM1
SCHEMBL15190527 0.79 CCR3 (0.63) ALDH1A1OPRL1OPRM1POLBSIGMAR1
SCHEMBL13658247 0.78 ALDH1A1 (0.40) ALDH1A1LMNACHRM2OPRL1OPRM1
SCHEMBL702465 0.78 ALDH1A1 (0.57) ALDH1A1LMNACHRM2OPRL1OPRM1
SCHEMBL3408748 0.78 OPRM1 (0.57) ALDH1A1LMNACHRM2OPRL1OPRM1

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 9 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
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 ALDH1A1 958/4885LMNA 2119/4885CHRM2 687/4885

“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.