SCHEMBL3081829

SCHEMBL3081829

ClCc1ccc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.39
CYP11B2 P19099 5/20 0.39
TNF P01375 1/20 0.39
HTT P42858 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.35
ACSS2 Q9NR19 3/20 0.34
ASAH1 Q13510 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 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
SCHEMBL9049120 0.89 MAPT (0.38) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL2967845 0.86 ACSS2 (0.38) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL3856673 0.81 FGFR1 (0.45) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL29795166 0.79 HTT (0.35) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL3037362 0.78 NPC1 (0.39) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL1876428 0.78 FGFR1 (0.45) CYP11B1CYP11B2HTTMAPK1
SCHEMBL29447536 0.78 NPC1 (0.39) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL2794301 0.76 HTT (0.48) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL2968392 0.74 NPC1 (0.39) HTTSMN1; SMN2LMNA
SCHEMBL6489900 0.74 FGFR1 (0.45) HTT

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-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed
EP-0747355-A1 NOVEL CARBAMATE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-11 EP 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 CYP11B1 42/4885CYP11B2 18/4885TNF 4803/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 CYP11B1 42/4885CYP11B2 18/4885TNF 4803/4885

“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.