SCHEMBL5450086

SCHEMBL5450086

CC(=O)c1cn(CCCN2CCCCC2)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.62
CNR1 P21554 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 2/20 0.60
CREBBP Q92793 3/20 0.60
KMT2A Q03164 1/20 0.57
PLK1 P53350 1/20 0.52
NR2F2 P24468 1/20 0.52
HTR7 P34969 2/20 0.51
KAT2B Q92831 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL5418358 0.89 SMN1; SMN2 (0.59) CNR2CNR1SMN1; SMN2ALDH1A1CREBBP
SCHEMBL9540544 0.88 PLK1 (0.66) CNR2CNR1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5454647 0.88 CNR2 (0.74) CNR2CNR1SMN1; SMN2ALDH1A1CREBBP
SCHEMBL5455063 0.87 CNR2 (0.53) CNR2CNR1SMN1; SMN2ALDH1A1CREBBP
SCHEMBL14463824 0.86 CNR2 (0.57) CNR2CNR1SMN1; SMN2ALDH1A1CREBBP
SCHEMBL9344335 0.86 PLK1 (0.66) CNR2CNR1ALDH1A1KMT2APLK1
SCHEMBL5453696 0.85 SMN1; SMN2 (0.62) CNR2CNR1SMN1; SMN2ALDH1A1CREBBP
SCHEMBL5454706 0.85 DRD3 (0.60) CNR2CNR1SMN1; SMN2ALDH1A1CREBBP
SCHEMBL5451254 0.84 SMN1; SMN2 (0.61) CNR2CNR1SMN1; SMN2ALDH1A1CREBBP
SCHEMBL5448205 0.83 SMN1; SMN2 (0.54) CNR2CNR1SMN1; SMN2ALDH1A1CREBBP

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 CNR2 106/4885CNR1 65/4885SMN1; SMN2 1701/4885

“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.