SCHEMBL5451817

SCHEMBL5451817

COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
PDE10A Q9Y233 2/20 0.47
POLB P06746 3/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
ALDH1A1 P00352 4/20 0.43
USP2 O75604 1/20 0.43
CXCR3 P49682 1/20 0.42
LMNA P02545 2/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CHRM4 P08173 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL5460377 0.94 SMN1; SMN2 (0.47) SMN1; SMN2PDE10APOLBMAPTKDM4E
SCHEMBL5451117 0.89 POLB (0.47) SMN1; SMN2POLBMAPTKDM4EMEN1
SCHEMBL5451127 0.87 MEN1 (0.49) SMN1; SMN2POLBMAPTKDM4EMEN1
SCHEMBL5443150 0.86 CNR2 (0.50) SMN1; SMN2POLBMAPTKDM4EMEN1
SCHEMBL5454578 0.80 PDE10A (0.51) PDE10AKDM4EMEN1KMT2AALDH1A1
SCHEMBL5455433 0.80 PDE10A (0.51) PDE10AMEN1KMT2AALDH1A1USP2
SCHEMBL5463330 0.80 PDE10A (0.51) PDE10AMEN1KMT2AALDH1A1USP2
SCHEMBL5441597 0.80 PDE10A (0.49) SMN1; SMN2PDE10ATP53MEN1KMT2A
SCHEMBL5449136 0.79 PDE10A (0.52) PDE10APOLBTP53MEN1KMT2A
SCHEMBL5451088 0.79 KMT2A (0.46) SMN1; SMN2POLBMAPTMEN1KMT2A

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 SMN1; SMN2 1701/4885PDE10A 514/4885POLB 4520/4885

“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.