SCHEMBL4867239

SCHEMBL4867239

O=C(Nc1ccccc1)N1CCCCc2cc(Cl)ccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.63
HTR2C P28335 1/20 0.63
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
TP53 P04637 4/20 0.58
NPC1 O15118 1/20 0.58
PKM P14618 1/20 0.58
NFKB1 P19838 1/20 0.58
RAB9A P51151 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PTPN11 Q06124 1/20 0.54
AVPR2 P30518 3/20 0.54
AVPR1A P37288 1/20 0.54
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 1/20 0.52

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
SCHEMBL4866075 0.89 TP53 (0.59) HTR2AHTR2CTP53NPC1PKM
SCHEMBL4860668 0.85 TP53 (0.58) HTR2AHTR2CTP53NPC1PKM
SCHEMBL4869045 0.85 TP53 (0.58) HTR2AHTR2CTP53NPC1PKM
SCHEMBL4870805 0.85 HTR2A (0.63) HTR2AHTR2CTP53NPC1PKM
SCHEMBL4869800 0.85 MAPT (0.67) TP53NPC1PKMNFKB1RAB9A
SCHEMBL4867471 0.84 TP53 (0.81) TP53NPC1PKMNFKB1RAB9A
SCHEMBL4863845 0.84 MEN1 (0.67) TP53NPC1PKMNFKB1RAB9A
SCHEMBL4869626 0.83 MAPT (0.69) TP53NPC1PKMNFKB1RAB9A
SCHEMBL4869023 0.83 TP53 (0.78) TP53NPC1PKMNFKB1RAB9A
SCHEMBL4863345 0.81 ATM (0.69) HTR2CTP53NPC1PKMNFKB1

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 4 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 claimed
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 HTR2A 516/4885HTR2C 323/4885CYP1A2 1196/4885

“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.