SCHEMBL1040553

SCHEMBL1040553

CCNC(=O)c1cccc(NCC)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.49
▸ KCNH2 Q12809 1/20 0.47
▸ CACNA1C Q13936 1/20 0.47
▸ SCN5A Q14524 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CNR1 P21554 2/20 0.44
▸ P2RX7 Q99572 1/20 0.44
▸ PARP1 P09874 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.41

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
SCHEMBL19661316 0.86 LMNA (0.56) LMNAKDM4ECNR1P2RX7PARP1
SCHEMBL19347397 0.83 KDM4E (0.67) GRM5KCNH2CACNA1CSCN5ALMNA
SCHEMBL15650342 0.81 KCNH2 (0.49) GRM5KCNH2CACNA1CSCN5ALMNA
SCHEMBL22485568 0.79 BRD4 (0.55) LMNAKDM4ECNR1P2RX7PARP1
SCHEMBL28220099 0.79 KDM4E (0.61) LMNAKDM4ECNR1P2RX7ALDH1A1
SCHEMBL12163955 0.79 P2RX7 (0.69) GRM5LMNAKDM4ECNR1P2RX7
SCHEMBL18247275 0.79 P2RX7 (0.64) LMNAKDM4ECNR1P2RX7PARP1
SCHEMBL24638032 0.78 LMNA (0.49) LMNAKDM4ECNR1P2RX7PARP1
SCHEMBL20729906 0.78 LMNA (0.57) LMNAKDM4ECNR1P2RX7ALDH1A1
SCHEMBL12956081 0.78 PARP1 (0.49) GRM5LMNAKDM4ECNR1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554239-B1 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-26 — — EP disclosed
EP-1554239-B1 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-26 — — EP disclosed
US-7435815-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 — — US disclosed
US-7435815-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 — — US disclosed
US-7435815-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 — — US disclosed
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-18 — — US disclosed
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-18 — — US disclosed
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-18 — — US disclosed
US-7279578-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-09 — — US disclosed
US-7279578-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-09 — — US disclosed
US-7279578-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-09 — — US disclosed
US-20060014783-A1 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-19 — — US disclosed
EP-1554239-A2 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-07-20 — — EP disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 — — WO disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 — — 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-20060014783-A1 Sulfonylamino-acetic acid derivatives HCRTR2, HCRTR1, GIPR GRM5 215/4885KCNH2 1524/4885CACNA1C 357/4885
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES HCRTR2, HCRTR1, GIPR GRM5 215/4885KCNH2 1524/4885CACNA1C 357/4885

“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.

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