SCHEMBL7831003

SCHEMBL7831003

CC(c1ccccc1)C1NC(=O)N(C2CCN(C(=O)N[C@H](Cc3cc(Br)c(N)c(Br)c3)C(=O)N3CCC(c4ccncc4)CC3)CC2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CALCA P06881 6/20 0.45
CALCRL Q16602 14/20 0.43
RAMP1 O60894 7/20 0.43
CYP3A4 P08684 1/20 0.42
ROCK2 O75116 1/20 0.41
PRKG1 Q13976 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
SCHEMBL3957916 0.87 CALCA (0.45) CALCACALCRLRAMP1CYP3A4
SCHEMBL7831008 0.86 CALCA (0.44) CALCACALCRLRAMP1CYP3A4
SCHEMBL4300402 0.83 CALCRL (0.54) CALCACALCRLRAMP1CYP3A4
SCHEMBL3964575 0.83 CALCRL (0.54) CALCACALCRLRAMP1CYP3A4
SCHEMBL3960532 0.80 CALCRL (0.64) CALCACALCRLRAMP1CYP3A4
SCHEMBL3957978 0.79 CALCRL (0.66) CALCRLRAMP1CYP3A4
SCHEMBL3960031 0.77 CALCRL (0.45) CALCACALCRLRAMP1CYP3A4
SCHEMBL3965267 0.77 CALCRL (0.58) CALCACALCRLRAMP1CYP3A4
SCHEMBL4304733 0.77 CALCRL (0.58) CALCACALCRLRAMP1CYP3A4
SCHEMBL3960056 0.77 CALCRL (0.62) CALCACALCRLRAMP1CYP3A4

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-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 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-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 CALCA 463/4885CALCRL 276/4885RAMP1 434/4885

“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.