SCHEMBL5456523

SCHEMBL5456523

CC(=O)c1cn(CCCN2CCC3CCCCC3C2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CREBBP Q92793 6/20 0.51
CNR2 P34972 7/20 0.50
KMT2A Q03164 1/20 0.49
HTR7 P34969 2/20 0.47
HTR1A P08908 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47
CNR1 P21554 4/20 0.47
KAT2B Q92831 1/20 0.46

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
SCHEMBL14464442 0.89 CNR1 (0.50) CNR2HTR7HTR1AHRH1DRD3
SCHEMBL14412210 0.85 CNR2 (0.45) ALDH1A1CNR2KMT2AHTR7HTR1A
SCHEMBL14463824 0.83 CNR2 (0.57) SMN1; SMN2ALDH1A1CREBBPCNR2KMT2A
SCHEMBL5453743 0.82 CNR2 (0.50) CNR2CNR1
SCHEMBL5463445 0.82 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1CREBBPCNR2KMT2A
SCHEMBL5450086 0.82 CNR2 (0.62) SMN1; SMN2ALDH1A1CREBBPCNR2KMT2A
SCHEMBL5455063 0.82 CNR2 (0.53) SMN1; SMN2ALDH1A1CREBBPCNR2KMT2A
SCHEMBL5446586 0.81 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1CREBBPCNR2KMT2A
SCHEMBL5462715 0.79 CNR2 (0.51) SMN1; SMN2ALDH1A1CREBBPCNR2KMT2A
SCHEMBL14411640 0.79 HTR7 (0.58) SMN1; SMN2ALDH1A1CREBBPCNR2HTR7

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 4 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
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO 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 SMN1; SMN2 1701/4885ALDH1A1 2963/4885CREBBP 702/4885

“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.