SCHEMBL1095396

SCHEMBL1095396

Oc1ccc(F)cc1-c1ccnn1C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
OPRL1 P41146 3/20 0.35
IDO1 P14902 1/20 0.33
CHEK2 O96017 1/20 0.33
CACNA2D1 P54289 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNB1 Q02641 1/20 0.32
CACNA1C Q13936 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
HSP90AA1 P07900 1/20 0.32
S1PR1 P21453 1/20 0.32
CCR5 P51681 1/20 0.32
PIK3CD O00329 2/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL1094823 0.87 IDO1 (0.38) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL15011216 0.74 SCN9A (0.37) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL15031628 0.73 CCR5 (0.36) OPRM1OPRD1OPRK1OPRL1CCR5
SCHEMBL18556164 0.70 CCR5 (0.41) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL4956140 0.70 ALDH1A1 (0.38) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL15012126 0.68 SLC6A9 (0.34) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL15031624 0.68 CYP3A4 (0.33) OPRM1OPRD1OPRK1OPRL1CCR5
SCHEMBL4960017 0.68 L3MBTL3 (0.40) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL1094620 0.67 SCN9A (0.45) HSP90AA1CYP1A2CYP3A4CYP2C9SCN9A
SCHEMBL1095146 0.65 ALDH1A1 (0.49) IDO1HSP90AA1CYP1A2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385938-B1 SULFONAMIDE DERIVATIVES PFIZER LTD (GB) 2015-03-04 EP disclosed
EP-2385938-B1 SULFONAMIDE DERIVATIVES PFIZER LTD (GB) 2015-03-04 EP disclosed
CN-102348697-B Sulfonamide derivatives PFIZER LTD 2014-12-10 CN disclosed
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
US-20130338111-A1 Sulfonamide Derivatives ICAGEN, INC. (US) 2013-12-19 US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 US disclosed
US-20120149679-A1 Sulfonamide Derivatives ICAGEN, INC. 2012-06-14 US disclosed
US-20120149679-A1 Sulfonamide Derivatives ICAGEN, INC. 2012-06-14 US disclosed
US-20120149679-A1 Sulfonamide Derivatives ICAGEN, INC. 2012-06-14 US disclosed
US-8153814-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2012-04-10 US disclosed
US-8153814-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2012-04-10 US disclosed
US-8153814-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2012-04-10 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 US disclosed
WO-2010079443-A1 SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-07-15 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 (3 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-20100197655-A1 SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, TPST2 OPRM1 116/4885OPRD1 82/4885OPRK1 52/4885
US-20130338111-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 OPRM1 116/4885OPRD1 82/4885OPRK1 52/4885
US-20120149679-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 OPRM1 116/4885OPRD1 82/4885OPRK1 52/4885

“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.