SCHEMBL5454505

SCHEMBL5454505

CC(=O)c1cn(CCCN(C)CCc2ccccn2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.57
CNR1 P21554 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 1/20 0.52
CREBBP Q92793 2/20 0.51
NR2F2 P24468 1/20 0.47
PKM P14618 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KAT2B Q92831 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
NOD2 Q9HC29 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL5460505 0.91 CNR1 (0.54) CNR2CNR1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5454811 0.88 CNR2 (0.52) CNR2CNR1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5444223 0.86 CNR2 (0.49) CNR2CNR1SMN1; SMN2ALDH1A1SLC22A12
SCHEMBL5441848 0.84 HDAC1 (0.59) CNR2CNR1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5460451 0.83 CNR2 (0.47) CNR2CNR1ALDH1A1KMT2APKM
SCHEMBL5451107 0.82 CYP2D6 (0.49) CNR2CNR1ALDH1A1RAB9AKDM4E
SCHEMBL5460563 0.81 HDAC1 (0.48) CNR2CNR1KMT2ALMNA
SCHEMBL5454242 0.81 CNR2 (0.45) CNR2CNR1SLC22A12
SCHEMBL12642940 0.76 CNR2 (0.71) CNR2CNR1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5332746 0.75 SMN1; SMN2 (0.71) CNR2CNR1SMN1; SMN2ALDH1A1KMT2A

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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR CNR2 106/4885CNR1 65/4885SMN1; SMN2 1701/4885

“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.