SCHEMBL5453862

SCHEMBL5453862

CCCOC1CCN(CCCn2cc(C(C)=O)c3c(OC)cccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CNR2 P34972 7/20 0.42
CNR1 P21554 3/20 0.42
HRH2 P25021 2/20 0.42
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MEN1 O00255 1/20 0.39
ADRA1D P25100 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR4 Q13639 1/20 0.38

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
SCHEMBL5457453 0.86 HTR4 (0.46) KMT2ASMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL5341467 0.85 CNR2 (0.50) KMT2ASMN1; SMN2CNR2CNR1
SCHEMBL5441786 0.84 KMT2A (0.45) KMT2ASMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL5441919 0.84 KMT2A (0.43) KMT2ASMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL5443271 0.84 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL5454214 0.83 DRD2 (0.52) KMT2ASMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL5444404 0.83 KMT2A (0.42) KMT2ASMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL5451270 0.81 KCNH2 (0.50) KMT2ASMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL5448665 0.80 CNR2 (0.49) KMT2ASMN1; SMN2ALDH1A1CNR2CNR1
SCHEMBL14464423 0.79 KMT2A (0.49) KMT2ASMN1; SMN2ALDH1A1MEN1KDM4E

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 1701/4885ALDH1A1 2963/4885

“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.