SCHEMBL761956

SCHEMBL761956

Cc1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNN4 O15554 2/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL22576696 0.77 CYP11B1 (0.35) CYP11B1CYP11B2KCNN4MAPK1
SCHEMBL6046470 0.77 KCNN4 (0.35) CYP11B1CYP11B2POLBSMN1; SMN2KCNN4
SCHEMBL752388 0.77 POLB (0.33) CYP11B1CYP11B2POLBSMN1; SMN2KCNN4
SCHEMBL9137872 0.76 SMN1; SMN2 (0.46) POLBSMN1; SMN2MAPK1
SCHEMBL4638378 0.76 SMN1; SMN2 (0.51) POLBSMN1; SMN2MAPK1
SCHEMBL24033595 0.75 POLB (0.35) CYP11B1CYP11B2POLBSMN1; SMN2MAPK1
SCHEMBL1121836 0.74 NOTUM (0.35) CYP11B1CYP11B2POLBSMN1; SMN2
SCHEMBL24034152 0.74 CYP1A2 (0.34) CYP11B1CYP11B2POLBSMN1; SMN2
SCHEMBL10077140 0.74 CYP1A2 (0.34) CYP11B1CYP11B2
SCHEMBL30343520 0.74 POLB (0.32) CYP11B1CYP11B2POLBSMN1; SMN2KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170081278-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2017-03-23 US disclosed
US-9540318-B2 Sulfonamide compounds and their use in the modulation retinoid-related orphan receptor GLAXO GROUP LIMITED (GB) 2017-01-10 US disclosed
US-20150361039-A1 SULFONAMIDE COMPOUNDS AND THEIR USE IN THE MODULATION RETINOID-RELATED ORPHAN RECEPTOR GLAXO GROUP LIMITED (GB) 2015-12-17 US disclosed
US-9150508-B2 Sulfonamide compounds and their use in the modulation retinoid-related orphan receptor GLAXO GROUP LIMITED (GB) 2015-10-06 US disclosed
US-20140243362-A1 SULFONAMIDE COMPOUNDS AND THEIR USE IN THE MODULATION RETINOID-RELATED ORPHAN RECEPTOR GLAXO GROUP LIMITED (GB) 2014-08-28 US disclosed
EP-2760443-A1 SULFONAMIDE COMPOUNDS AND THEIR USE IN THE MODULATION RETINOID - RELATED ORPHAN RECEPTOR Glaxo Group Limited (GB) 2014-08-06 EP disclosed
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
WO-2013045431-A1 SULFONAMIDE COMPOUNDS AND THEIR USE IN THE MODULATION RETINOID - RELATED ORPHAN RECEPTOR GLAXO GROUP LIMITED (GB) 2013-04-04 WO disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
WO-2010112865-A1 5-HT RECEPTOR MODULATING COMPOUNDS SERODUS AS (NO) 2010-10-07 WO disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
CN-101312939-A Heterocyclic cetp inhibitors BRISTOL MYERS SQUIBB CO (US) 2008-11-26 CN disclosed
EP-1954668-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS Brystol-Myers Squibb Company (US) 2008-08-13 EP disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-7226942-B2 2-amino-4-functionalized tetralin derivatives and related glycogen phosphorylase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-05 US disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2006055462-A1 2-AMINO-4-FUNCTIONALIZED TETRALIN DERIVATIVES AND RELATED GLYCOGEN PHOSPHORYLASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-26 WO disclosed
US-20060111338-A1 2-Amino-4-functionalized tetralin derivatives and related glycogen phosphorylase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-05-25 US disclosed
CN-1471536-A chemokine receptor antagonists and methods of use thereof ǧ��ҩƷ��˾ 2004-01-28 CN 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 (6 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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CYP11B1 359/4885CYP11B2 881/4885POLB 380/4885
US-20170081278-A1 Novel compounds RORC, RORB, RORA CYP11B1 91/4885CYP11B2 125/4885POLB 4101/4885
US-20150361039-A1 SULFONAMIDE COMPOUNDS AND THEIR USE IN THE MODULATION RETINOID-RELATED ORPHAN RECEPTOR RORA, RORC, RORB CYP11B1 299/4885CYP11B2 328/4885POLB 4141/4885
US-20140243362-A1 SULFONAMIDE COMPOUNDS AND THEIR USE IN THE MODULATION RETINOID-RELATED ORPHAN RECEPTOR RORA, RORB, RORC CYP11B1 216/4885CYP11B2 304/4885POLB 4211/4885
US-20060111338-A1 2-Amino-4-functionalized tetralin derivatives and related glycogen phosphorylase inhibitors PYGM, PYGL, PYGB CYP11B1 1445/4885CYP11B2 2144/4885POLB 1278/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CYP11B1 359/4885CYP11B2 881/4885POLB 380/4885

“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.