SCHEMBL3390954

SCHEMBL3390954

CC(=O)Nc1cccc(-c2ccc(N3CC4CCC(C3)N4C)nn2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.56
MAPT P10636 2/20 0.56
NPC1 O15118 16/20 0.56
RAB9A P51151 16/20 0.56
PAX8 Q06710 2/20 0.55
MEN1 O00255 1/20 0.55
HSP90AA1 P07900 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 1/20 0.54

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
SCHEMBL1742755 0.85 NPC1 (0.61) TP53MAPTNPC1RAB9APAX8
SCHEMBL1744154 0.80 NPC1 (0.61) TP53MAPTNPC1RAB9APAX8
SCHEMBL3393866 0.78 CHRNA7 (0.49) TP53MAPTNPC1RAB9A
SCHEMBL3391986 0.78 CHRNA7 (0.49)
SCHEMBL3391568 0.78 CHRNA7 (0.49) NPC1RAB9A
SCHEMBL3390644 0.78 MAOA (0.40) TP53MAPTNPC1RAB9A
SCHEMBL928191 0.78 CHRNA7 (0.68)
SCHEMBL3388713 0.77 CHRNA7 (0.47) TP53MAPTNPC1RAB9A
SCHEMBL1449940 0.76 GRM5 (0.45) TP53MAPTNPC1RAB9AKMT2A
SCHEMBL3389698 0.75 CHRNA7 (0.52)

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
EP-1805183-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-12-29 EP claimed
US-20080153806-A1 Novel Diazabicyclic Aryl Derivatives And Their Medical Use NEUROSEARCH A/S (DK) 2008-06-26 US claimed
EP-1805183-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-12-29 EP disclosed
US-20080153806-A1 Novel Diazabicyclic Aryl Derivatives And Their Medical Use NEUROSEARCH A/S (DK) 2008-06-26 US 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-20080153806-A1 Novel Diazabicyclic Aryl Derivatives And Their Medical Use CHRNA6, CHRNA10, CHRNA2 TP53 4839/4885MAPT 1384/4885NPC1 1166/4885

“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.