SCHEMBL517094

SCHEMBL517094

CN1CCOc2cccnc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.51
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
SYK P43405 1/20 0.37
NOTUM Q6P988 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
IDH1 O75874 1/20 0.34

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
SCHEMBL29933984 1.00 GRM5 (0.51) GRM5CYP11B1CYP11B2CHRNB4CHRNA3
SCHEMBL22313601 0.79 CYP1A2 (0.36) GRM5CYP11B1CYP11B2NOTUMCYP1A2
SCHEMBL18027237 0.79 CYP1A2 (0.36) GRM5CYP11B1CYP11B2NOTUMCYP1A2
SCHEMBL10222510 0.78 GRM5 (0.33) GRM5CYP11B1CYP11B2CHRNB4CHRNA3
SCHEMBL10305614 0.78 GRM5 (0.52) GRM5CYP11B1CYP11B2NOTUMCYP1A2
SCHEMBL15221563 0.78 KDM4E (0.37) GRM5CYP11B1CYP11B2NOTUMCYP1A2
SCHEMBL14349435 0.76 NOTUM (0.59) GRM5CYP11B2NOTUM
SCHEMBL19154092 0.75 GRM5 (0.41) GRM5CYP11B1CYP11B2NOTUM
SCHEMBL5366473 0.75 GRM5 (0.38) GRM5CYP11B2CYP1A2CYP2C9ITGB2
SCHEMBL29999565 0.74 GRM5 (0.48) GRM5CYP11B1CYP11B2CYP1A2

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2955173-B1 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-10-04 EP claimed
US-9603834-B2 1,2- bis-sulfonamide derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-03-28 US claimed
US-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2016-08-11 US claimed
EP-2955173-A1 NOVEL 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2015-12-16 EP claimed
EP-2651901-B1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2015-05-27 EP claimed
US-20140221351-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-08-07 US claimed
US-8729066-B2 1,2- bis-sulfonamide derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2014-05-20 US claimed
US-20140051682-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-02-20 US claimed
EP-2651901-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-23 EP claimed
WO-2012082633-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 WO claimed
US-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US claimed
EP-3856736-B1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2026-05-06 EP disclosed
US-12202816-B2 Compounds as NADPH oxidase inhibitors CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2025-01-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
WO-2023205701-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-10-26 WO disclosed
US-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20080318941-A1 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-12-25 US disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 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 (9 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-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 GRM5 634/4885CYP11B1 1777/4885CYP11B2 1731/4885
US-20140051682-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 GRM5 634/4885CYP11B1 1777/4885CYP11B2 1731/4885
US-20080318941-A1 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR1B, HTR3B GRM5 78/4885CYP11B1 1834/4885CYP11B2 1859/4885
US-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR1A, HTR5A GRM5 62/4885CYP11B1 842/4885CYP11B2 834/4885
US-20140221351-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 GRM5 634/4885CYP11B1 1777/4885CYP11B2 1731/4885
US-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 GRM5 634/4885CYP11B1 1777/4885CYP11B2 1731/4885
US-12202816-B2 Compounds as NADPH oxidase inhibitors CYBB, NOX1, NOX4 GRM5 2656/4885CYP11B1 88/4885CYP11B2 89/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B GRM5 1114/4885CYP11B1 893/4885CYP11B2 1024/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP GRM5 153/4885CYP11B1 1168/4885CYP11B2 1579/4885

“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.