SCHEMBL5453370

SCHEMBL5453370

CCC(=O)c1cn(CCCN2CCC(c3ccccc3OC)CC2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HRH2 P25021 4/20 0.54
DRD2 P14416 2/20 0.54
CNR2 P34972 5/20 0.53
HTR2A P28223 3/20 0.52
HTR2C P28335 3/20 0.52
HTR2B P41595 3/20 0.52
CNR1 P21554 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
HTR6 P50406 1/20 0.47

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 0.90 SMN1; SMN2 (0.61) KMT2AALDH1A1MAPTNPSR1HRH2
SCHEMBL5454286 0.90 MAPT (0.59) KMT2AALDH1A1MAPTNPSR1HRH2
SCHEMBL5338373 0.90 HRH2 (0.50) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL14411257 0.89 SMN1; SMN2 (0.61) KMT2AALDH1A1MAPTNPSR1HRH2
SCHEMBL5440970 0.87 HRH2 (0.51) KMT2AALDH1A1MAPTNPSR1HRH2
SCHEMBL5453899 0.84 KMT2A (0.58) KMT2AALDH1A1MAPTNPSR1HRH2
SCHEMBL5445383 0.83 HTR2A (0.56) HRH2DRD2CNR2HTR2AHTR2C
SCHEMBL5454214 0.82 DRD2 (0.52) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL5450033 0.81 ADRA1D (0.58) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL5460381 0.81 HRH2 (0.57) KMT2AHRH2DRD2CNR2HTR2A

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 4056/4885MEN1 2039/4885ALDH1A1 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.