SCHEMBL5454633

SCHEMBL5454633

O=C(NCc1ccccc1Cl)c1cn(CCCN2CCC(Sc3ccc(Cl)cc3)CC2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
CNR2 P34972 2/20 0.42
P2RX7 Q99572 2/20 0.41
CNR1 P21554 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CFD P00746 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE10A Q9Y233 1/20 0.39
PTPN7 P35236 1/20 0.39
THRB P10828 2/20 0.39
MAPT P10636 1/20 0.39
ADRA1D P25100 1/20 0.39

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
SCHEMBL5463063 0.92 HDAC1 (0.58) HDAC1HDAC6CNR2P2RX7CNR1
SCHEMBL5456507 0.88 HDAC1 (0.50) HDAC1HDAC6CNR2P2RX7CNR1
SCHEMBL14411470 0.86 HDAC1 (0.45) HDAC1HDAC6CNR2P2RX7CNR1
SCHEMBL5457252 0.86 HDAC1 (0.48) HDAC1HDAC6CNR2P2RX7CNR1
Hydrochloric Acid SCHEMBL5452524 0.85 HDAC1 (0.45) HDAC1HDAC6CNR2P2RX7CNR1
SCHEMBL14411614 0.83 CNR2 (0.48) CNR2CNR1SMN1; SMN2TP53ALDH1A1
SCHEMBL14463906 0.83 LMNA (0.52) HDAC1HDAC6CNR2P2RX7CNR1
SCHEMBL5461697 0.83 SMN1; SMN2 (0.46) HDAC1HDAC6CNR2P2RX7CNR1
Hydrochloric Acid SCHEMBL5446515 0.83 CNR2 (0.48) CNR2CNR1SMN1; SMN2TP53ALDH1A1
SCHEMBL14411474 0.82 CNR1 (0.51) HDAC1HDAC6CNR1ALDH1A1LMNA

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.