SCHEMBL2264189

SCHEMBL2264189

CCNCc1cc(C)n(C)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.48
ALOX15 P16050 1/20 0.48
BCHE P06276 1/20 0.45
HTT P42858 3/20 0.43
HPGD P15428 2/20 0.43
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37

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
SCHEMBL2237134 0.80 BCHE (0.47) ALDH1A1SMN1; SMN2LMNAALOX15BCHE
SCHEMBL19089524 0.78 HTT (0.48) ALDH1A1SMN1; SMN2LMNAALOX15BCHE
SCHEMBL9965045 0.78 BCHE (0.49) ALDH1A1SMN1; SMN2LMNAALOX15BCHE
SCHEMBL256103 0.77
SCHEMBL22245536 0.77 BCHE (0.45) ALDH1A1SMN1; SMN2LMNAALOX15BCHE
SCHEMBL13090080 0.76 BCHE (0.44) ALDH1A1SMN1; SMN2LMNAALOX15BCHE
SCHEMBL3304141 0.74 HTT (0.45) ALDH1A1SMN1; SMN2LMNAALOX15BCHE
SCHEMBL2755869 0.74 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNAALOX15BCHE
SCHEMBL19659449 0.73 GLS (0.35) ALDH1A1SMN1; SMN2LMNAALOX15
SCHEMBL8240047 0.73 KDM4E (0.39) ALDH1A1SMN1; SMN2LMNAALOX15BCHE

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
EP-3290415-A1 OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING SAME Trevena, Inc. (US) 2018-03-07 EP disclosed
CN-101460453-B Novel sulfonamide compounds ACTELION PHARMACEUTICALS LTD 2012-10-03 CN disclosed
US-8003654-B2 N-glycinsulfonamide derivatives and uses as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-23 US disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
US-20090275588-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2009-11-05 US disclosed
CN-101460453-A Novel sulfonamide compounds ACTELION PHARMACEUTICALS LTD (CH) 2009-06-17 CN disclosed
EP-2007717-A1 NOVEL SULFONAMIDE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-31 EP disclosed
WO-2007116374-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-10-18 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 (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-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, RUNX1, ACIN1 ALDH1A1 256/4885SMN1; SMN2 574/4885LMNA 1738/4885
US-20090275588-A1 NOVEL SULFONAMIDE COMPOUNDS HCRTR2, HCRTR1, NPSR1 ALDH1A1 2824/4885SMN1; SMN2 1760/4885LMNA 4196/4885

“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.