SCHEMBL4900683

SCHEMBL4900683

CC(C)(CCn1cnc(I)c1)NC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 8/20 0.34
KDM5A P29375 5/20 0.34
KDM5B Q9UGL1 5/20 0.34
CPB1 P15086 3/20 0.34
KDM4C Q9H3R0 3/20 0.32
KDM4A O75164 2/20 0.32
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4896123 0.78 RAB9A (0.39) KDM5AKDM5BKDM4CKDM4AALDH1A1
SCHEMBL2203122 0.75 CPB2 (0.33) CPB2KDM5AKDM5BCPB1
SCHEMBL21404585 0.74 CPB2 (0.34) CPB2KDM5AKDM5BCPB1
SCHEMBL2198222 0.73 CPB2 (0.32) CPB2CPB1
SCHEMBL4891565 0.73 MEN1 (0.47) MAPTMEN1KMT2A
SCHEMBL27788082 0.72 CPB2 (0.34) CPB2CPB1ALDH1A1POLBMAPT
SCHEMBL11908082 0.71 KDM5A (0.37) CPB2KDM5AKDM5BCPB1KDM4C
SCHEMBL1876333 0.70 CPB2 (0.35) CPB2CPB1
SCHEMBL584619 0.69 CA12 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL23320277 0.69 TBXAS1 (0.42) CPB2CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300290-A1 Novel Beta-Agonists, Process for Their Preparation and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 US disclosed
US-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions TRIESELMANN THOMAS 2008-09-25 US disclosed
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 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-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 CPB2 1435/4885KDM5A 3846/4885KDM5B 4228/4885
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 CPB2 1435/4885KDM5A 3846/4885KDM5B 4228/4885
US-20080300290-A1 Novel Beta-Agonists, Process for Their Preparation and Their Use as Medicaments ADRB1, ADRB3, ADRB2 CPB2 2153/4885KDM5A 2166/4885KDM5B 2013/4885

“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.