SCHEMBL701057

SCHEMBL701057

OCC1(c2cccc(F)c2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.54
MAPK1 P28482 1/20 0.54
OPRL1 P41146 2/20 0.54
POLB P06746 3/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.47
OPRM1 P35372 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
CYP3A4 P08684 2/20 0.46
CCR3 P51677 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 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
SCHEMBL2789160 0.86 OPRL1 (0.66) CYP2D6MAPK1OPRL1POLBMEN1
SCHEMBL3897322 0.84 OPRL1 (0.73) CYP2D6MAPK1OPRL1POLBKMT2A
SCHEMBL699951 0.84 OPRL1 (0.63) OPRL1POLBALDH1A1OPRM1SIGMAR1
SCHEMBL14417007 0.82 SLC6A4 (0.47) OPRL1MEN1KMT2AALDH1A1OPRM1
SCHEMBL3897579 0.81 CYP2D6 (0.53) CYP2D6MAPK1OPRL1POLBMEN1
SCHEMBL23997040 0.80 SLC6A4 (0.53) OPRL1OPRM1
SCHEMBL2511840 0.78 KMT2A (0.55) OPRL1POLBMEN1KMT2ACCR3
SCHEMBL701266 0.78 OPRM1 (0.75) CYP2D6MAPK1OPRL1POLBALDH1A1
Hydrochloric Acid SCHEMBL9310876 0.78 KDM4E (0.67) CYP2D6MAPK1OPRL1POLBKMT2A
SCHEMBL5367864 0.78 CCR3 (0.61) MAPK1OPRL1POLBMEN1KMT2A

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 CYP2D6 349/4885MAPK1 1777/4885OPRL1 3/4885

“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.