SCHEMBL5454706

SCHEMBL5454706

CC(=O)c1cn(CCCN2CCN(c3ccccc3)CC2)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.60
DRD2 P14416 4/20 0.60
DRD4 P21917 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 1/20 0.59
CREBBP Q92793 2/20 0.58
CNR2 P34972 1/20 0.56
KMT2A Q03164 1/20 0.53
HTR2A P28223 3/20 0.51
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
ADRA1D P25100 1/20 0.49
CNR1 P21554 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL5452278 0.89 CNR1 (0.59) DRD3DRD2DRD4SMN1; SMN2CNR2
Hydrochloric Acid SCHEMBL5452799 0.88 ALDH1A1 (0.51) DRD3DRD2DRD4SMN1; SMN2ALDH1A1
SCHEMBL5418358 0.87 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1CREBBPCNR2KMT2A
SCHEMBL5454647 0.86 CNR2 (0.74) SMN1; SMN2ALDH1A1CREBBPCNR2CNR1
SCHEMBL5450086 0.85 CNR2 (0.62) SMN1; SMN2ALDH1A1CREBBPCNR2KMT2A
SCHEMBL14411598 0.85 ADRA1D (0.63) DRD2DRD4SMN1; SMN2ALDH1A1CREBBP
Hydrochloric Acid SCHEMBL5453613 0.84 ADRA1D (0.62) DRD2DRD4SMN1; SMN2ALDH1A1CREBBP
SCHEMBL14412214 0.84 DRD3 (0.50) DRD3DRD2DRD4SMN1; SMN2ALDH1A1
SCHEMBL5453696 0.84 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1CREBBPCNR2KMT2A
SCHEMBL5446538 0.83 HTR1A (0.52) DRD3DRD2DRD4SMN1; SMN2ALDH1A1

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 DRD3 2993/4885DRD2 2688/4885DRD4 4022/4885

“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.