SCHEMBL4863156

SCHEMBL4863156

O=C(Nc1ccccc1)N1CCCC(c2ccc(Cl)cc2)c2ccc(Cl)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPT P10636 3/20 0.49
LMNA P02545 3/20 0.49
TP53 P04637 3/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.47
NFKB1 P19838 2/20 0.47
RAB9A P51151 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LHCGR P22888 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL4865634 0.85 KDM4E (0.61) CYP1A2TP53KMT2ANPC1NFKB1
SCHEMBL4865006 0.83 NPC1 (0.52) CYP1A2CYP2C9CYP2C19MAPTLMNA
SCHEMBL4871266 0.75 KDM4E (0.58) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4867326 0.75 KDM4E (0.55) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL4867239 0.72 HTR2A (0.63) CYP1A2CYP2C9CYP2C19MAPTLMNA
SCHEMBL4871884 0.72 NPC1 (0.53) CYP1A2CYP2C9CYP2C19MAPTLMNA
SCHEMBL4867117 0.70 AVPR2 (0.56) MAPTLMNATP53MEN1KMT2A
Hydrochloric Acid SCHEMBL4871067 0.68 NPC1 (0.51) MAPTLMNATP53NPC1NFKB1
SCHEMBL4869800 0.67 MAPT (0.67) MAPTLMNATP53MEN1KMT2A
SCHEMBL4863845 0.67 MEN1 (0.67) MAPTLMNATP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 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 (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-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 CYP1A2 1196/4885CYP2C9 1164/4885CYP2C19 449/4885

“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.