SCHEMBL3314145

SCHEMBL3314145

CC(C)(C)OC(=O)C[C@H](Cc1cc(Cl)c(N)c(C(F)(F)F)c1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAMP1 O60894 1/20 0.40
CALCRL Q16602 1/20 0.40
PPARA Q07869 3/20 0.37
ADRB2 P07550 1/20 0.34
AR P10275 2/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PPARG P37231 1/20 0.33
HDAC1 Q13547 3/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CETP P11597 1/20 0.31
P2RX7 Q99572 2/20 0.31

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
SCHEMBL4459964 0.90 RAMP1 (0.42) RAMP1CALCRLPPARAADRB2AR
SCHEMBL27619084 0.90 RAMP1 (0.42) RAMP1CALCRLPPARAADRB2AR
SCHEMBL4459960 0.90 RAMP1 (0.42) RAMP1CALCRLPPARAADRB2AR
SCHEMBL21978244 0.85 PPARA (0.41) PPARACSNK2BCSNK2A1KMT2ACA2
SCHEMBL27513102 0.85 PPARA (0.41) PPARACSNK2BCSNK2A1KMT2ACA2
SCHEMBL17447939 0.85 PPARA (0.41) PPARACSNK2BCSNK2A1KMT2ACA2
SCHEMBL7377952 0.85 PPARA (0.41) PPARACSNK2BCSNK2A1KMT2ACA2
SCHEMBL21978242 0.85 PPARA (0.41) PPARACSNK2BCSNK2A1KMT2ACA2
SCHEMBL4523268 0.83 PPARA (0.39) PPARAPPARGCA2CA9PLA2G10
SCHEMBL3314330 0.82 PPARA (0.38) RAMP1CALCRLPPARAADRB2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 US disclosed
EP-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 EP 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-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA RAMP1 84/4885CALCRL 1/4885PPARA 3132/4885

“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.