SCHEMBL5334513

SCHEMBL5334513

COc1cccc2c(C(=O)NCC(C)C)cn(CCCCl)c12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.52
TP53 P04637 1/20 0.44
PDE10A Q9Y233 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CNR1 P21554 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
SCHEMBL5450018 0.83 CNR2 (0.47) CNR2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL5332444 0.82 SMN1; SMN2 (0.59) CNR2ALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL5451336 0.82 PDE10A (0.56) CNR2TP53PDE10AALDH1A1KMT2A
SCHEMBL5317786 0.82 PDE10A (0.62) CNR2TP53PDE10A
SCHEMBL5337000 0.82 PDE10A (0.50) CNR2TP53PDE10AALDH1A1
SCHEMBL5336450 0.82 PDE10A (0.62) CNR2TP53PDE10ASMN1; SMN2KMT2A
SCHEMBL5448714 0.82 CNR2 (0.52) CNR2CNR1
SCHEMBL5441690 0.82 CNR2 (0.46) CNR2ALDH1A1KMT2ALMNA
SCHEMBL5460369 0.81 CNR2 (0.49) CNR2
SCHEMBL5462996 0.81 APEX1 (0.52) CNR2PDE10ALMNACNR1

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 5 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
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 CNR2 106/4885TP53 3721/4885PDE10A 514/4885

“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.