SCHEMBL4863777

SCHEMBL4863777

CCN(CCCNC(=O)N1CCCCc2ccccc21)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
LMNA P02545 4/20 0.51
AVPR2 P30518 1/20 0.51
GLA P06280 1/20 0.50
TP53 P04637 3/20 0.49
POLB P06746 3/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL4868271 0.97 KMT2A (0.52) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4865179 0.94 GFER (0.53) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4869509 0.92 AVPR2 (0.52) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4870682 0.90 AVPR2 (0.51) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4865660 0.87 TP53 (0.49) LMNAAVPR2TP53POLBMAPT
SCHEMBL4869584 0.86 AVPR2 (0.48) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4870765 0.86 AVPR2 (0.54) KMT2AMEN1LMNAAVPR2TP53
SCHEMBL4868195 0.85 KMT2A (0.49) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4869733 0.84 LMNA (0.50) LMNAAVPR2TP53POLBMAPT
SCHEMBL4868949 0.84 LMNA (0.53) KMT2AMEN1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194620-A1 Use of Benzodiazepine Receptor Ligands For Combating Signs of Ageing L'OREAL (FR) 2008-08-14 US disclosed
US-20080194620-A1 Use of Benzodiazepine Receptor Ligands For Combating Signs of Ageing L'OREAL (FR) 2008-08-14 US disclosed
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-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-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 (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-20080194620-A1 Use of Benzodiazepine Receptor Ligands For Combating Signs of Ageing GABBR1, GABBR2, GABRA2 KMT2A 2597/4885MEN1 4699/4885CYP1A2 366/4885
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 KMT2A 2577/4885MEN1 651/4885CYP1A2 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.