SCHEMBL5446709

SCHEMBL5446709

CCOC(=O)C1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MAPK1 P28482 2/20 0.55
POLB P06746 1/20 0.55
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
CNR2 P34972 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CREBBP Q92793 1/20 0.47
IDO1 P14902 3/20 0.47
S1PR1 P21453 1/20 0.46
HTT P42858 1/20 0.46
CNR1 P21554 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL5451082 0.87 MAPK1 (0.60) KMT2AMAPK1POLBMEN1ALDH1A1
SCHEMBL5444289 0.83 CHRM1 (0.51) KDM4ECNR2IDO1S1PR1HTT
SCHEMBL5454221 0.83 KDM4E (0.53) KDM4ECNR2IDO1S1PR1CNR1
SCHEMBL5455228 0.83 CNR2 (0.48) ALDH1A1KDM4ECNR2IDO1S1PR1
SCHEMBL5460467 0.82 CREBBP (0.64) KMT2AMAPK1POLBMEN1ALDH1A1
SCHEMBL5450951 0.80 HTR7 (0.55) KDM4ECNR2IDO1S1PR1
SCHEMBL5441604 0.80 KDM4E (0.46) ALDH1A1KDM4ECNR2IDO1S1PR1
SCHEMBL5440970 0.80 HRH2 (0.51) KMT2AALDH1A1KDM4ECNR2SMN1; SMN2
SCHEMBL14411123 0.79 KDM4E (0.49) ALDH1A1KDM4ECNR2SMN1; SMN2IDO1
SCHEMBL5451577 0.79 KDM4E (0.47) KDM4ECNR2IDO1S1PR1HTT

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 KMT2A 4056/4885MAPK1 1443/4885POLB 4520/4885

“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.