SCHEMBL5657345

SCHEMBL5657345

CCN1CCC(Oc2cc[c]cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.68
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 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
SCHEMBL1897422 0.87 HRH3 (0.68) HRH3CARM1PRMT6DRD2
SCHEMBL1891613 0.84 HRH3 (0.57) HRH3CARM1PRMT6
SCHEMBL1813178 0.83 HRH3 (0.46) HRH3
SCHEMBL8391744 0.83 HRH3 (0.67) HRH3CARM1PRMT6GAASMN1; SMN2
SCHEMBL1283269 0.81 CYP3A4 (0.48) HRH3DRD2DRD3
SCHEMBL12803875 0.81 HRH3 (0.69) HRH3CARM1PRMT6GAASMN1; SMN2
SCHEMBL14924453 0.81 HRH3 (0.69) HRH3CARM1PRMT6GAASMN1; SMN2
SCHEMBL188648 0.81 HRH3 (0.63) HRH3CARM1PRMT6SMN1; SMN2DRD3
SCHEMBL5208517 0.81 HRH3 (1.00) HRH3
SCHEMBL1896242 0.81 HRH3 (0.49) HRH3CARM1PRMT6DRD2DRD4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
EP-1622611-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 US disclosed
WO-2004096213-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO disclosed
US-20040220247-A1 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC 2004-11-04 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 (2 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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR HRH3 41/4885CARM1 1591/4885PRMT6 2270/4885
US-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR HRH3 31/4885CARM1 1874/4885PRMT6 2846/4885

“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.