SCHEMBL5451127

SCHEMBL5451127

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
MAPT P10636 5/20 0.49
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 8/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 4/20 0.46
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
KDM4E B2RXH2 1/20 0.44
GRM2 Q14416 2/20 0.44
GAA P10253 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 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
SCHEMBL5443150 0.90 CNR2 (0.50) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL5454590 0.90 MEN1 (0.51) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL5449576 0.89 SMN1; SMN2 (0.49) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL5451117 0.89 POLB (0.47) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL14411082 0.88 KMT2A (0.49) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL5451817 0.87 SMN1; SMN2 (0.48) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL14411003 0.87 POLB (0.47) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL5460377 0.87 SMN1; SMN2 (0.47) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL5451088 0.85 KMT2A (0.46) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL5451155 0.85 SMN1; SMN2 (0.52) MEN1KMT2AMAPTPOLBSMN1; SMN2

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 MEN1 2039/4885KMT2A 4056/4885MAPT 4523/4885

“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.