SCHEMBL3962604

SCHEMBL3962604

NC(=O)c1ccccc1NC1CCN(C(=O)N[C@H](Cc2cc(Br)c(N)c(Br)c2)C(=O)N2CCC(CN3CCCCC3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
CALCRL Q16602 7/20 0.46
CYP3A4 P08684 2/20 0.46
THRB P10828 2/20 0.41
RAMP1 O60894 2/20 0.41
GAA P10253 1/20 0.41
CALCA P06881 3/20 0.40
CACNA1B Q00975 1/20 0.39

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
SCHEMBL3960850 0.84 CALCRL (0.54) CALCRLCYP3A4RAMP1CALCA
SCHEMBL3960055 0.84 CALCRL (0.46) CALCRLCYP3A4RAMP1CALCA
SCHEMBL3962607 0.83 CALCRL (0.53) MAPTLMNACALCRLCYP3A4THRB
SCHEMBL3958044 0.82 CALCRL (0.59) CALCRLCYP3A4CALCA
SCHEMBL3954327 0.78 CALCRL (0.60) CALCRLCYP3A4RAMP1CALCA
SCHEMBL3964473 0.78 CALCRL (0.51) CALCRLCYP3A4RAMP1CALCA
SCHEMBL3958192 0.78 CALCRL (0.56) CALCRLCYP3A4CALCA
SCHEMBL3959858 0.75 CALCRL (0.53) CALCRLCYP3A4RAMP1CALCA
SCHEMBL3959771 0.74 CALCRL (0.51) CALCRLCYP3A4RAMP1CALCA
SCHEMBL3958197 0.72 CALCRL (0.57) CALCRLCYP3A4RAMP1CALCA

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 9 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
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP 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
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 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 (4 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 MAPT 201/4885LMNA 1992/4885CALCRL 255/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 MAPT 164/4885LMNA 2240/4885CALCRL 276/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS MAPT 197/4885LMNA 2510/4885CALCRL 364/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 MAPT 164/4885LMNA 2240/4885CALCRL 276/4885

“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.