SCHEMBL5443113

SCHEMBL5443113

COc1ccccc1C1CCN(CCCn2cc(C(C)=O)c3cccc(C)c32)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.53
DRD2 P14416 2/20 0.49
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DRD4 P21917 2/20 0.45
CACNA1G O43497 1/20 0.44
KCNH2 Q12809 1/20 0.44
ADRA1B P35368 1/20 0.43
CNR2 P34972 1/20 0.43
NR2F2 P24468 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 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
SCHEMBL14410967 0.94 DRD2 (0.52) HRH2DRD2KMT2AMEN1SMN1; SMN2
SCHEMBL14410989 0.90 HRH2 (0.54) HRH2DRD2KMT2AMEN1SMN1; SMN2
SCHEMBL5442997 0.90 KMT2A (0.49) HRH2DRD2KMT2AMEN1SMN1; SMN2
SCHEMBL14464426 0.90 DRD2 (0.48) HRH2DRD2KMT2AMEN1SMN1; SMN2
SCHEMBL5446820 0.87 SMN1; SMN2 (0.61) HRH2DRD2KMT2ASMN1; SMN2CNR2
SCHEMBL14411257 0.85 SMN1; SMN2 (0.61) HRH2DRD2KMT2ASMN1; SMN2CNR2
SCHEMBL5456337 0.84 ALDH1A1 (0.54) HRH2DRD2KMT2AMEN1CACNA1G
SCHEMBL5450940 0.84 CNR2 (0.52) HRH2DRD2KMT2AMEN1DRD4
SCHEMBL5454214 0.82 DRD2 (0.52) HRH2DRD2KMT2AMEN1SMN1; SMN2
SCHEMBL5460381 0.81 HRH2 (0.57) HRH2DRD2KMT2ASMN1; SMN2CACNA1G

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
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
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 HRH2 418/4885DRD2 2688/4885KMT2A 4056/4885

“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.