SCHEMBL5451155

SCHEMBL5451155

CC(=O)c1cn(CCCN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.52
MAPT P10636 5/20 0.52
HTT P42858 4/20 0.52
HPGD P15428 1/20 0.52
POLB P06746 1/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
GRM2 Q14416 2/20 0.51
ALDH1A1 P00352 5/20 0.50
NPSR1 Q6W5P4 4/20 0.50
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
GSK3B P49841 1/20 0.47
CCNA1 P78396 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
LMNA P02545 4/20 0.47
DRD2 P14416 1/20 0.46

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
SCHEMBL5454101 0.93 POLB (0.51) SMN1; SMN2MAPTHTTHPGDPOLB
SCHEMBL5454590 0.87 MEN1 (0.51) SMN1; SMN2MAPTHTTHPGDPOLB
SCHEMBL5449576 0.86 SMN1; SMN2 (0.49) SMN1; SMN2MAPTHTTHPGDPOLB
SCHEMBL5451127 0.85 MEN1 (0.49) SMN1; SMN2MAPTHTTHPGDPOLB
SCHEMBL14411003 0.84 POLB (0.47) SMN1; SMN2MAPTHTTHPGDPOLB
SCHEMBL5453680 0.76 HTR3E (0.44) SMN1; SMN2MAPTHTTPOLBALDH1A1
SCHEMBL5443150 0.75 CNR2 (0.50) SMN1; SMN2MAPTHPGDPOLBMEN1
SCHEMBL14411082 0.74 KMT2A (0.49) SMN1; SMN2MAPTHTTHPGDPOLB
SCHEMBL5451117 0.74 POLB (0.47) SMN1; SMN2MAPTHTTHPGDPOLB
SCHEMBL5457439 0.74 CNR1 (0.43) KMT2AALDH1A1GSK3B

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 1701/4885MAPT 4523/4885HTT 1270/4885

“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.