SCHEMBL5440970

SCHEMBL5440970

COc1ccccc1C1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
DRD2 P14416 2/20 0.49
HTR2A P28223 3/20 0.49
HTR2C P28335 3/20 0.49
HTR2B P41595 3/20 0.49
IDO1 P14902 1/20 0.48
CNR2 P34972 3/20 0.48
CNR1 P21554 2/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADRA1D P25100 1/20 0.47
CACNA1G O43497 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR6 P50406 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL5446820 0.89 SMN1; SMN2 (0.61) HRH2ALDH1A1MAPTNPSR1DRD2
SCHEMBL5454286 0.89 MAPT (0.59) HRH2ALDH1A1MAPTNPSR1DRD2
SCHEMBL5453370 0.87 KMT2A (0.58) HRH2ALDH1A1MAPTNPSR1DRD2
SCHEMBL14411257 0.87 SMN1; SMN2 (0.61) HRH2ALDH1A1MAPTNPSR1DRD2
SCHEMBL5338373 0.85 HRH2 (0.50) HRH2ALDH1A1MAPTNPSR1DRD2
SCHEMBL5453899 0.83 KMT2A (0.58) HRH2ALDH1A1MAPTNPSR1DRD2
SCHEMBL5454214 0.80 DRD2 (0.52) HRH2ALDH1A1MAPTNPSR1DRD2
SCHEMBL5444289 0.80 CHRM1 (0.51) DRD2IDO1CNR2CNR1ADRA1D
SCHEMBL5441604 0.80 KDM4E (0.46) ALDH1A1MAPTNPSR1IDO1CNR2
SCHEMBL5450033 0.80 ADRA1D (0.58) HRH2ALDH1A1MAPTNPSR1DRD2

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 HRH2 418/4885ALDH1A1 2963/4885MAPT 4523/4885

“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.