SCHEMBL4220697

SCHEMBL4220697

COC(CN(C(=O)Nc1ccccc1F)C1CCN(C(=O)O)CC1)OC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
UBE2M P61081 14/20 0.47
DCUN1D1 Q96GG9 14/20 0.47
THRB P10828 1/20 0.44
EPHX2 P34913 1/20 0.43
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4230865 0.88 LMNA (0.49) LMNAUBE2MDCUN1D1THRB
SCHEMBL4222732 0.86 UBE2M (0.46) LMNAUBE2MDCUN1D1ALDH1A1
SCHEMBL16817039 0.85 UBE2M (0.42) LMNAUBE2MDCUN1D1GAAALDH1A1
SCHEMBL4223456 0.75 GPR119 (0.48) ALDH1A1
SCHEMBL4700841 0.74 MEN1 (0.40) UBE2MDCUN1D1CYP2C19
SCHEMBL18657494 0.73 UBE2M (0.79) LMNAUBE2MDCUN1D1THRB
SCHEMBL16817031 0.71 UBE2M (0.41) UBE2MDCUN1D1
SCHEMBL18657703 0.69 UBE2M (0.88) UBE2MDCUN1D1
SCHEMBL3851155 0.67 KDM4E (0.59) EPHX2GAAALDH1A1
SCHEMBL18657409 0.66 LMNA (0.75) LMNAUBE2MDCUN1D1THRBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013214-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2009-01-14 EP disclosed
US-7470680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
WO-2007131020-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO disclosed
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 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 (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-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS CALCR, BDKRB2, CALCRL LMNA 1980/4885UBE2M 2236/4885DCUN1D1 4012/4885

“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.