SCHEMBL6278936

SCHEMBL6278936

COc1cccc(OCCN2CCC3(C2)c2[nH]c4ccc(OC)cc4c2CCN3C(C)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.46
DRD3 P35462 4/20 0.46
CFTR P13569 8/20 0.44
OPRM1 P35372 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
BAZ2B Q9UIF8 1/20 0.42
KDR P35968 2/20 0.41
TRPA1 O75762 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MAPKAPK2 P49137 1/20 0.41

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
SCHEMBL6496428 0.95 CFTR (0.47) DRD2DRD3CFTROPRM1OGFRL1
SCHEMBL6280446 0.91 CFTR (0.47) CFTROPRM1OGFRL1CHRNB2CHRNB4
SCHEMBL6280948 0.90 CFTR (0.43) DRD2DRD3CFTROPRM1OGFRL1
SCHEMBL6278024 0.90 CFTR (0.44) DRD2DRD3CFTROPRM1OGFRL1
SCHEMBL6280942 0.89 CFTR (0.43) DRD2DRD3CFTROPRM1OGFRL1
SCHEMBL6496683 0.89 CFTR (0.46) DRD2DRD3CFTROPRM1OGFRL1
SCHEMBL6282975 0.88 CFTR (0.45) CFTROPRM1OGFRL1
SCHEMBL6280476 0.88 CFTR (0.47) DRD2DRD3CFTRCHRNB2CHRNB4
SCHEMBL6279842 0.86 CFTR (0.47) DRD2DRD3CFTRCHRNB2CHRNB4
SCHEMBL6283290 0.86 CFTR (0.52) CFTROPRM1OGFRL1BAZ2BMAPKAPK2

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-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists BIOVITRUM AB (SE) 2005-12-29 US claimed
US-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists BIOVITRUM AB (SE) 2005-12-29 US disclosed
WO-2005048916-A2 TETRAHYDROSPIRO-BETA-CARBOLINE-1,3 '-PYRROLIDINE DERIVATIVES AND THEIR USE IN GHSR-RELATED DISORDERS BIOVITRUM AB (SE) 2005-06-02 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-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists GHSR, GHRHR, PRLHR DRD2 175/4885DRD3 336/4885CFTR 589/4885

“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.