SCHEMBL5454101

SCHEMBL5454101

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 7/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPT P10636 5/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GRM2 Q14416 2/20 0.48
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
GSK3B P49841 1/20 0.46
CCNA1 P78396 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
HTT P42858 3/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 3/20 0.44

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
SCHEMBL5451155 0.93 SMN1; SMN2 (0.52) POLBSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5444219 0.80 ATM (0.52) POLBSMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL5454590 0.80 MEN1 (0.51) POLBSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5449576 0.79 SMN1; SMN2 (0.49) POLBSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5451127 0.78 MEN1 (0.49) POLBSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5450078 0.77 ATM (0.55) SMN1; SMN2KMT2AALDH1A1MAPTGSK3B
SCHEMBL14411003 0.77 POLB (0.47) POLBSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5446808 0.77 IDO1 (0.51) KMT2AMEN1ALDH1A1ATMDRD3
SCHEMBL5452543 0.76 ATM (0.52) SMN1; SMN2ALDH1A1ATMDRD2DRD3
SCHEMBL5448739 0.75 ATM (0.52) ATMDRD2DRD4DRD3

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 POLB 4520/4885SMN1; SMN2 1701/4885KMT2A 4056/4885

“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.