SCHEMBL5456507

SCHEMBL5456507

O=C(NCc1cccc(Cl)c1)c1cn(CCCN2CCC(Sc3ccc(Cl)cc3)CC2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
CNR2 P34972 3/20 0.46
CNR1 P21554 2/20 0.44
PTPN7 P35236 1/20 0.42
F10 P00742 1/20 0.42
LMNA P02545 1/20 0.42
PDE10A Q9Y233 1/20 0.42
TP53 P04637 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ACKR3 P25106 1/20 0.40
P2RX7 Q99572 1/20 0.40
CCR1 P32246 1/20 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
SCHEMBL5457252 0.93 HDAC1 (0.48) HDAC1HDAC6CNR2CNR1PTPN7
SCHEMBL5463063 0.93 HDAC1 (0.58) HDAC1HDAC6CNR2CNR1PTPN7
SCHEMBL5454633 0.88 HDAC1 (0.49) HDAC1HDAC6CNR2CNR1PTPN7
SCHEMBL14411470 0.85 HDAC1 (0.45) HDAC1HDAC6CNR2CNR1F10
SCHEMBL14411476 0.85 SLC6A2 (0.54) HDAC1HDAC6CNR2CNR1PTPN7
Hydrochloric Acid SCHEMBL5452524 0.85 HDAC1 (0.45) HDAC1HDAC6CNR2CNR1F10
SCHEMBL5453545 0.84 HDAC1 (0.48) HDAC1HDAC6CNR2CNR1PTPN7
SCHEMBL5448958 0.83 CNR2 (0.55) HDAC1HDAC6CNR2CNR1PTPN7
SCHEMBL14411614 0.83 CNR2 (0.48) CNR2CNR1TP53
Hydrochloric Acid SCHEMBL5446515 0.82 CNR2 (0.48) CNR2CNR1TP53

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.