SCHEMBL3316803

SCHEMBL3316803

CCOC(=O)[C@@H](Cc1cc(C(F)(F)F)c(N)c(C(F)(F)F)c1)NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.44
TP53 P04637 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX2 P34913 4/20 0.36

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
SCHEMBL3310634 1.00 TACR1 (0.44) TACR1TP53POLBKDM4EMEN1
SCHEMBL4479163 0.84 ITGB3 (0.43) KDM4EALDH1A1LMNAMAPTNFKB1
SCHEMBL4479161 0.84 ITGB3 (0.43) KDM4EALDH1A1LMNAMAPTNFKB1
SCHEMBL3314970 0.83 EPHX2 (0.37) TACR1KDM4EALDH1A1EPHX2PPARG
SCHEMBL3310473 0.75 ADRB2 (0.41) MEN1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL3311167 0.75 ADRB2 (0.41) MEN1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL10790967 0.75 TACR1 (0.49) TACR1TP53MEN1ALDH1A1LMNA
SCHEMBL9056612 0.75 TACR1 (0.49) TACR1TP53MEN1ALDH1A1LMNA
SCHEMBL5124369 0.74 TACR1 (0.41) TACR1TP53POLBPPID
SCHEMBL3314974 0.74 KIFC1 (0.37) EPHX2PPARG

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 TACR1 23/4885TP53 3817/4885POLB 2618/4885

“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.