SCHEMBL5454811

SCHEMBL5454811

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.52
CNR1 P21554 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 5/20 0.44
PTPN7 P35236 1/20 0.42
DUSP3 P51452 1/20 0.42
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
CREBBP Q92793 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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 0.89 CNR1 (0.54) CNR2CNR1SMN1; SMN2KMT2AALDH1A1
SCHEMBL5454505 0.88 CNR2 (0.57) CNR2CNR1SMN1; SMN2KMT2AALDH1A1
SCHEMBL5444223 0.81 CNR2 (0.49) CNR2CNR1SMN1; SMN2ALDH1A1PTPN7
SCHEMBL5460321 0.80 CDK4 (0.48) KMT2A
SCHEMBL5451343 0.79 CNR2 (0.52) CNR2CNR1SMN1; SMN2KMT2AALDH1A1
SCHEMBL5451107 0.79 CYP2D6 (0.49) CNR2CNR1ALDH1A1PTPN7KDM4E
SCHEMBL5441848 0.79 HDAC1 (0.59) CNR2CNR1SMN1; SMN2KMT2AALDH1A1
SCHEMBL5460451 0.78 CNR2 (0.47) CNR2CNR1KMT2AALDH1A1PTPN7
SCHEMBL5460563 0.77 HDAC1 (0.48) CNR2CNR1KMT2APTPN7LMNA
SCHEMBL5454242 0.76 CNR2 (0.45) CNR2CNR1SLC22A12

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 2 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
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO 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.