SCHEMBL3965034

SCHEMBL3965034

O=C(CC(Cc1cc(Br)c(O)c(Br)c1)C(=O)N1CCC(c2ccncc2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.57
CALCA P06881 2/20 0.55
RAMP1 O60894 3/20 0.55

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
SCHEMBL3965031 1.00 CALCRL (0.57) CALCRLCALCARAMP1
SCHEMBL3964147 0.91 CALCRL (0.65) CALCRLCALCARAMP1
SCHEMBL3964150 0.91 CALCRL (0.65) CALCRLCALCARAMP1
SCHEMBL13712715 0.90 CALCRL (0.60) CALCRLCALCARAMP1
SCHEMBL3959601 0.87 CALCRL (0.60) CALCRLCALCARAMP1
SCHEMBL3960113 0.87 CALCRL (0.69) CALCRLCALCA
SCHEMBL3960107 0.87 CALCRL (0.69) CALCRLCALCA
SCHEMBL3959611 0.87 CALCRL (0.60) CALCRLCALCARAMP1
SCHEMBL3965243 0.87 CALCRL (0.69) CALCRLCALCA
SCHEMBL3957126 0.86 CALCA (0.70) CALCRLCALCARAMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP claimed
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 255/4885CALCA 544/4885RAMP1 354/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 CALCRL 276/4885CALCA 463/4885RAMP1 434/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 CALCRL 276/4885CALCA 463/4885RAMP1 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.