SCHEMBL5453899

SCHEMBL5453899

COc1ccccc1C1CCN(CCn2cc(C(C)=O)c3ccccc32)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
DRD2 P14416 1/20 0.55
CNR1 P21554 4/20 0.54
NR2F2 P24468 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HRH2 P25021 3/20 0.51
CNR2 P34972 3/20 0.50
ADRA1B P35368 1/20 0.49
CREBBP Q92793 1/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49

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
SCHEMBL5446820 0.94 SMN1; SMN2 (0.61) KMT2ASMN1; SMN2DRD2CNR1NR2F2
SCHEMBL14411257 0.94 SMN1; SMN2 (0.61) KMT2ASMN1; SMN2DRD2CNR1NR2F2
SCHEMBL14411340 0.86 KAT2B (0.54) KMT2ASMN1; SMN2DRD2NR2F2ALDH1A1
SCHEMBL5454286 0.86 MAPT (0.59) KMT2ASMN1; SMN2DRD2CNR1ALDH1A1
SCHEMBL5453370 0.84 KMT2A (0.58) KMT2ASMN1; SMN2DRD2CNR1ALDH1A1
SCHEMBL5460381 0.84 HRH2 (0.57) KMT2ASMN1; SMN2DRD2HRH2CNR2
SCHEMBL5444486 0.84 HTR2A (0.52) KMT2ASMN1; SMN2DRD2CNR1ALDH1A1
SCHEMBL5454214 0.83 DRD2 (0.52) KMT2ASMN1; SMN2DRD2ALDH1A1MAPT
SCHEMBL14410967 0.83 DRD2 (0.52) KMT2ASMN1; SMN2DRD2CNR1HRH2
SCHEMBL5440970 0.83 HRH2 (0.51) KMT2ASMN1; SMN2DRD2CNR1ALDH1A1

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 KMT2A 4056/4885SMN1; SMN2 1701/4885DRD2 2688/4885

“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.