SCHEMBL5634673

SCHEMBL5634673

CC(=O)c1ccc2[nH]c3c(c2c1)CCNC31CCN(CCOc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CFTR P13569 19/20 0.52
KMT2A Q03164 1/20 0.47

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
SCHEMBL6003860 1.00 CFTR (0.52) CFTRKMT2A
Trifluoroacetic Acid SCHEMBL5636030 0.95 CFTR (0.48) CFTRKMT2A
SCHEMBL5635489 0.93 CFTR (0.51) CFTRKMT2A
SCHEMBL6003560 0.93 CFTR (0.51) CFTRKMT2A
SCHEMBL5635694 0.92 CFTR (0.53) CFTRKMT2A
SCHEMBL6003573 0.92 CFTR (0.53) CFTRKMT2A
SCHEMBL6003576 0.92 CFTR (0.50) CFTRKMT2A
SCHEMBL5634484 0.92 CFTR (0.50) CFTRKMT2A
SCHEMBL5634918 0.91 CFTR (0.50) CFTRKMT2A
SCHEMBL5635474 0.90 KMT2A (0.52) CFTRKMT2A

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-20070004765-A1 New compounds BIOVITRUM AB (SE) 2007-01-04 US claimed
US-20070004765-A1 New compounds BIOVITRUM AB (SE) 2007-01-04 US disclosed
WO-2006122931-A1 BETA-CARBOLINE DERIVATIVES AND THERI USE AS GHSR MODULATORS BIOVITRUM AB (PUBL) (SE) 2006-11-23 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-20070004765-A1 New compounds GHSR, GIPR, PRLHR CFTR 519/4885KMT2A 3641/4885

“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.