SCHEMBL3960433

SCHEMBL3960433

O=C(O)[C@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.52
RAMP1 O60894 3/20 0.49
CHRM4 P08173 1/20 0.48

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
SCHEMBL3960431 1.00 CALCRL (0.52) CALCRLRAMP1CHRM4
SCHEMBL3965263 0.91 CALCRL (0.51) CALCRLRAMP1CHRM4
SCHEMBL3964670 0.89 CALCRL (0.65) CALCRLRAMP1
SCHEMBL3958027 0.89 CALCRL (0.65) CALCRLRAMP1
SCHEMBL3959899 0.89 CALCRL (0.56) CALCRLRAMP1
SCHEMBL3958024 0.89 CALCRL (0.65) CALCRLRAMP1
SCHEMBL3958045 0.88 CALCRL (0.54) CALCRLRAMP1
SCHEMBL3958049 0.88 CALCRL (0.54) CALCRLRAMP1
SCHEMBL3959194 0.87 CALCRL (0.62) CALCRLRAMP1
SCHEMBL3959196 0.87 CALCRL (0.62) CALCRLRAMP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
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 (3 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS CALCRL 255/4885RAMP1 354/4885CHRM4 20/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 CALCRL 276/4885RAMP1 434/4885CHRM4 27/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 CALCRL 276/4885RAMP1 434/4885CHRM4 27/4885

“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.