SCHEMBL6280737

SCHEMBL6280737

COc1ccc2[nH]c3c(c2c1)CCN(CCN1CCOCC1)C31CCN(CCOc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 6/20 0.47
KDM4E B2RXH2 3/20 0.44
PARP1 P09874 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDR P35968 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
OGFRL1 Q5TC84 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LTA4H P09960 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
SCHEMBL6278814 0.93 CFTR (0.51) CFTRKDM4ENPSR1MEN1KMT2A
SCHEMBL6501126 0.89 CFTR (0.49) CFTRKDM4ENPSR1MEN1KMT2A
SCHEMBL6275137 0.89 CFTR (0.49) CFTRKDM4ENPSR1MEN1KMT2A
SCHEMBL6279463 0.89 CFTR (0.50) CFTRKDM4ENPSR1MEN1KMT2A
SCHEMBL6504965 0.89 CFTR (0.53) CFTRKDM4ENPSR1MEN1KMT2A
SCHEMBL6274875 0.89 CFTR (0.48) CFTRKDM4ENPSR1MEN1KMT2A
SCHEMBL6504186 0.87 CFTR (0.47) CFTRKDM4ENPSR1MEN1KMT2A
SCHEMBL6281069 0.86 CFTR (0.47) CFTRKDM4ENPSR1MEN1KMT2A
SCHEMBL6277839 0.86 CFTR (0.47) CFTRKDM4ENPSR1KDRMEN1
SCHEMBL6282136 0.86 CFTR (0.46) CFTRKDM4ENPSR1MEN1KMT2A

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
WO-2005048916-A2 TETRAHYDROSPIRO-BETA-CARBOLINE-1,3 '-PYRROLIDINE DERIVATIVES AND THEIR USE IN GHSR-RELATED DISORDERS BIOVITRUM AB (SE) 2005-06-02 WO claimed
US-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists BIOVITRUM AB (SE) 2005-12-29 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-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists GHSR, GHRHR, PRLHR CFTR 589/4885KDM4E 4489/4885PARP1 1414/4885

“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.