SCHEMBL5453545

SCHEMBL5453545

O=C(NCc1cccc(Cl)c1)c1cn(CCCN2CCC(N3CCCC3)CC2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
CNR2 P34972 2/20 0.48
CNR1 P21554 1/20 0.48
TP53 P04637 1/20 0.47
PTPN7 P35236 1/20 0.44
LMNA P02545 2/20 0.44
F10 P00742 1/20 0.44
P2RX7 Q99572 1/20 0.44
PDE10A Q9Y233 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC2A1 P11166 1/20 0.42
FSCN1 Q16658 1/20 0.42
CCR1 P32246 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
SCHEMBL5455060 0.91 HDAC1 (0.59) HDAC1HDAC6CNR2CNR1TP53
SCHEMBL5463302 0.90 CNR1 (0.48) HDAC1HDAC6CNR2CNR1PTPN7
SCHEMBL14411476 0.87 SLC6A2 (0.54) HDAC1HDAC6CNR2CNR1PTPN7
SCHEMBL5461697 0.86 SMN1; SMN2 (0.46) HDAC1HDAC6CNR2CNR1LMNA
SCHEMBL5448958 0.85 CNR2 (0.55) HDAC1HDAC6CNR2CNR1TP53
SCHEMBL5456507 0.84 HDAC1 (0.50) HDAC1HDAC6CNR2CNR1TP53
SCHEMBL5454424 0.82 CCR1 (0.47) HDAC1HDAC6CNR2CNR1TP53
SCHEMBL5446833 0.81 CNR2 (0.47) HDAC1HDAC6CNR2CNR1P2RX7
SCHEMBL5341262 0.81 CNR2 (0.59) HDAC1HDAC6CNR2CNR1TP53
SCHEMBL14411471 0.81 SMN1; SMN2 (0.51) HDAC1HDAC6CNR2TP53LMNA

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 292/4885CNR2 106/4885

“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.