SCHEMBL701862

SCHEMBL701862

c1cncc(C2(CCN3CCCC3)CCNCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.44
CHRNA4 P43681 4/20 0.44
CCR1 P32246 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
LTA4H P09960 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
EPHX2 P34913 1/20 0.36
HPGD P15428 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL10246542 0.92 CHRNB2 (0.42) CHRNB2CHRNA4CCR1DRD2DRD3
Hydrochloric Acid SCHEMBL700263 0.91 CCR1 (0.41) CHRNB2CHRNA4CCR1DRD2DRD3
SCHEMBL702269 0.86 CHRNB2 (0.44) CHRNB2CHRNA4CCR1ALDH1A1CYP3A4
SCHEMBL10283138 0.84 CHRNB2 (0.44) CHRNB2CHRNA4CCR1DRD2DRD3
SCHEMBL3441563 0.84 CHRNB2 (0.48) CHRNB2CHRNA4CCR1LTA4H
SCHEMBL701295 0.80 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1CYP3A4LMNA
SCHEMBL698464 0.80 MEN1 (0.46) CHRNB2CHRNA4ALDH1A1CYP3A4CYP2C19
SCHEMBL2110717 0.79 CHRNB2 (0.50) CHRNB2CHRNA4CCR1DRD2DRD3
SCHEMBL4292893 0.78 CHRNB2 (0.49) CHRNB2CHRNA4CCR1DRD2DRD3
Hydrochloric Acid SCHEMBL2333516 0.78 CHRNB2 (0.49) CHRNB2CHRNA4CCR1DRD2DRD3

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 CHRNB2 888/4885CHRNA4 977/4885CCR1 1126/4885

“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.