SCHEMBL5452640

SCHEMBL5452640

COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCCC(Cc4ccccc4Cl)C3)c12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CNR1 P21554 11/20 0.46
CNR2 P34972 6/20 0.46
KDM2B Q8NHM5 2/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5446527 0.91 CNR1 (0.47) CNR1CNR2CHRNB2CHRNB4CHRNA3
SCHEMBL5446388 0.89 CNR2 (0.51) CNR1CNR2CHRNB2CHRNB4CHRNA3
SCHEMBL14464374 0.88 CHRNB2 (0.41) ALDH1A1MAPTNPSR1CNR1CNR2
SCHEMBL5446352 0.87 ALDH1A1 (0.49) ALDH1A1MAPTNPSR1CNR1CNR2
SCHEMBL5451547 0.85 PDE10A (0.47) CNR1CNR2CHRNB2CHRNB4CHRNA3
SCHEMBL5378744 0.85 CNR2 (0.44) CNR1CNR2CHRNB2CHRNB4CHRNA3
SCHEMBL5443022 0.84 PRPS1 (0.45) ALDH1A1CNR1CNR2KDM2BCHRNB2
SCHEMBL5454463 0.84 TSHR (0.46) MAPTNPSR1CNR1CNR2CHRNB2
SCHEMBL14464377 0.83 CHRNB2 (0.42) CNR1CNR2CHRNB2CHRNB4CHRNA3
SCHEMBL5448730 0.82 CNR1 (0.42) ALDH1A1CNR1CNR2CHRNB2CHRNB4

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 ALDH1A1 2963/4885MAPT 4523/4885NPSR1 33/4885

“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.