SCHEMBL3813852

SCHEMBL3813852

Nc1nccc(-c2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
LMNA P02545 3/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 6/20 0.57
TAS1R3 Q7RTX0 5/20 0.56
TAS1R1 Q7RTX1 5/20 0.56
KDM4E B2RXH2 1/20 0.56
TSHR P16473 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 1/20 0.55
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
CYP2D6 P10635 1/20 0.53
TAS1R2 Q8TE23 2/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL3816905 1.00 HTT (0.61) HTTLMNAKMT2AALDH1A1TAS1R3
SCHEMBL3819848 0.94 HTT (0.51) HTTLMNAKMT2AALDH1A1TAS1R3
SCHEMBL14082169 0.84 HTT (0.71) HTTLMNAKMT2AALDH1A1TAS1R3
SCHEMBL4919682 0.82 TAS1R3 (0.60) HTTLMNAKMT2AALDH1A1TAS1R3
SCHEMBL4928246 0.82 TAS1R3 (0.60) HTTLMNAKMT2AALDH1A1TAS1R3
SCHEMBL14082298 0.82 LMNA (0.68) HTTLMNAKMT2AALDH1A1TAS1R3
SCHEMBL14009837 0.81 PDE4A (0.52) HTTLMNAKMT2AALDH1A1TAS1R3
SCHEMBL3112685 0.80 HTT (0.72) HTTLMNAKMT2AALDH1A1TAS1R3
SCHEMBL22289415 0.80 HTT (0.84) HTTLMNAKMT2AALDH1A1TAS1R3
SCHEMBL10527008 0.80 HTT (0.80) HTTLMNAKMT2AALDH1A1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713775-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-12 EP claimed
US-20080275062-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-11-06 US claimed
EP-1713775-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP claimed
WO-2005074643-A2 BENZAMIDE COMPOUNDS USEFUL AS ROCK INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 WO claimed
EP-1713775-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-12 EP disclosed
US-20080275062-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-11-06 US disclosed
US-20080275062-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-11-06 US disclosed
US-20080275062-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-11-06 US disclosed
EP-1713775-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP disclosed
WO-2005074643-A2 BENZAMIDE COMPOUNDS USEFUL AS ROCK INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 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 (1 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-20080275062-A1 Chemical Compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, CBR3 HTT 1243/4885LMNA 1818/4885KMT2A 3841/4885

“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.