SCHEMBL5489063

SCHEMBL5489063

COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCN(C(C)c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.47
PKM P14618 1/20 0.46
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 1/20 0.43
HRH2 P25021 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CNR1 P21554 2/20 0.41
PLA2G2A P14555 1/20 0.41
THRB P10828 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL5454089 0.94 CNR2 (0.47) CNR2PKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL5453540 0.89 CNR2 (0.46) CNR2ALDH1A1HRH2HTR2AHTR2C
SCHEMBL5453565 0.87 ALDH1A1 (0.42) CNR2ALDH1A1SMN1; SMN2HRH2CNR1
SCHEMBL5462921 0.86 SMN1; SMN2 (0.55) CNR2ALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL14411259 0.85 SMN1; SMN2 (0.55) CNR2ALDH1A1SMN1; SMN2KMT2ACNR1
SCHEMBL5446506 0.81 SMN1; SMN2 (0.42) CNR2ALDH1A1SMN1; SMN2KMT2ACNR1
SCHEMBL14411312 0.81 CNR2 (0.48) CNR2PKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL5451287 0.81 L3MBTL1 (0.54) CNR2SMN1; SMN2KMT2ALMNATSHR
SCHEMBL5462895 0.81 ALDH1A1 (0.46) CNR2ALDH1A1SMN1; SMN2KMT2AHTR2A
SCHEMBL14411105 0.81 CNR2 (0.50) CNR2ALDH1A1SMN1; SMN2KMT2ACNR1

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 CNR2 106/4885PKM 4015/4885ALDH1A1 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.