SCHEMBL6496683

SCHEMBL6496683

COc1ccc2[nH]c3c(c2c1)CCN(C(=O)C(C)=O)C31CCN(CCOc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 9/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
MAPKAPK2 P49137 2/20 0.41
ATM Q13315 1/20 0.41
OPRM1 P35372 2/20 0.41
OGFRL1 Q5TC84 2/20 0.41
KDR P35968 1/20 0.40
TRPA1 O75762 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 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
SCHEMBL6496428 0.94 CFTR (0.47) CFTRKDM4EMEN1KMT2ANPSR1
SCHEMBL6280476 0.91 CFTR (0.47) CFTRKDM4EMEN1KMT2ANPSR1
SCHEMBL6279842 0.90 CFTR (0.47) CFTRKDM4EMEN1KMT2ANPSR1
SCHEMBL6282128 0.89 CFTR (0.47) CFTRKDM4EMEN1KMT2ANPSR1
SCHEMBL6278936 0.89 DRD2 (0.46) CFTRCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6280325 0.88 CFTR (0.44) CFTRKDM4EMEN1KMT2ANPSR1
SCHEMBL6504965 0.88 CFTR (0.53) CFTRKDM4EMEN1KMT2ANPSR1
SCHEMBL6280730 0.88 CFTR (0.46) CFTRKDM4EMEN1KMT2ANPSR1
Acetic Acid SCHEMBL6502120 0.87 CFTR (0.46) CFTRKDM4EMEN1KMT2ANPSR1
SCHEMBL6280923 0.87 CFTR (0.46) CFTRKDM4EMEN1KMT2ANPSR1

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 1 patent. 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 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 4489/4885MEN1 150/4885

“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.