SCHEMBL5451107

SCHEMBL5451107

Cc1cccc(CNC(=O)c2cn(CCCN(C)CCc3ccccn3)c3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
CNR2 P34972 2/20 0.46
CNR1 P21554 1/20 0.46
PTPN7 P35236 1/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
F10 P00742 2/20 0.43
HPGD P15428 2/20 0.41
KLKB1 P03952 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ROCK1 Q13464 2/20 0.41
RAB9A P51151 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5460563 0.91 HDAC1 (0.48) CNR2CNR1PTPN7LMNAHDAC1
SCHEMBL5441848 0.87 HDAC1 (0.59) CNR2CNR1PTPN7LMNAKDM4E
SCHEMBL5460451 0.84 CNR2 (0.47) CNR2CNR1PTPN7LMNAKDM4E
SCHEMBL5444223 0.84 CNR2 (0.49) CNR2CNR1PTPN7LMNAALDH1A1
SCHEMBL5454505 0.82 CNR2 (0.57) CNR2CNR1LMNAKDM4EALDH1A1
SCHEMBL5460505 0.81 CNR1 (0.54) CNR2CNR1LMNAKDM4EALDH1A1
SCHEMBL5332368 0.80 LMNA (0.57) CNR2CNR1PTPN7LMNAKDM4E
SCHEMBL5454811 0.79 CNR2 (0.52) CNR2CNR1PTPN7LMNAKDM4E
SCHEMBL5454242 0.79 CNR2 (0.45) CNR2CNR1SLC22A12
SCHEMBL24273335 0.72 HPGD (0.55) LMNAKDM4EALDH1A1F10HPGD

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 CYP2D6 2571/4885CYP2C9 2355/4885CYP2C19 1650/4885

“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.