SCHEMBL5455060

SCHEMBL5455060

O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2CCC(N3CCCC3)CC2)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
CNR1 P21554 3/20 0.50
PTPN7 P35236 1/20 0.46
LMNA P02545 1/20 0.46
CNR2 P34972 5/20 0.46
P2RX7 Q99572 1/20 0.46
NPY1R P25929 1/20 0.45
CXCR3 P49682 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL5453545 0.91 HDAC1 (0.48) HDAC1HDAC6CNR1PTPN7LMNA
SCHEMBL5461697 0.89 SMN1; SMN2 (0.46) HDAC1HDAC6CNR1LMNACNR2
SCHEMBL14411477 0.86 HDAC1 (0.59) HDAC1HDAC6CNR1PTPN7LMNA
SCHEMBL5463302 0.85 CNR1 (0.48) HDAC1HDAC6CNR1PTPN7LMNA
SCHEMBL5463063 0.85 HDAC1 (0.58) HDAC1HDAC6CNR1PTPN7LMNA
SCHEMBL5451115 0.84 HDAC1 (0.57) HDAC1HDAC6CNR1PTPN7LMNA
SCHEMBL5446833 0.84 CNR2 (0.47) HDAC1HDAC6CNR1CNR2P2RX7
SCHEMBL14463901 0.81 CNR2 (0.48) HDAC1HDAC6CNR1CNR2
SCHEMBL5446450 0.81 HDAC1 (0.54) HDAC1HDAC6CNR1PTPN7LMNA
SCHEMBL5446567 0.81 L3MBTL1 (0.56) CNR1LMNACNR2

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 HDAC1 147/4885HDAC6 292/4885CNR1 65/4885

“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.