SCHEMBL5451117

SCHEMBL5451117

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
MAPT P10636 7/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.44
ALDH1A1 P00352 5/20 0.43
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CNR2 P34972 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 2/20 0.41
HSP90AA1 P07900 1/20 0.41
XBP1 P17861 1/20 0.41
DRD3 P35462 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL5451817 0.89 SMN1; SMN2 (0.48) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5460377 0.89 SMN1; SMN2 (0.47) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5451127 0.89 MEN1 (0.49) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5443150 0.85 CNR2 (0.50) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5451088 0.81 KMT2A (0.46) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14411082 0.80 KMT2A (0.49) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5454590 0.79 MEN1 (0.51) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5454255 0.78 CNR2 (0.45) MAPTMEN1KMT2AALDH1A1CNR2
SCHEMBL5450049 0.78 CNR2 (0.47) MAPTSMN1; SMN2LMNACNR2DRD3
SCHEMBL5441690 0.78 CNR2 (0.46) MEN1KMT2AALDH1A1LMNACNR2

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 4520/4885MAPT 4523/4885MEN1 2039/4885

“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.