SCHEMBL3353769

SCHEMBL3353769

CCC(CO)NC(CC)CO

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
CNR1 P21554 1/20 0.60
ADRA1A P35348 1/20 0.60
KDM4E B2RXH2 1/20 0.60
ABCC3 O15438 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 3/20 0.35
TSHR P16473 4/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
CA9 Q16790 1/20 0.33
SLC6A4 P31645 1/20 0.30
FYN P06241 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
SCHEMBL13101426 0.90 LMNA (0.57) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL4781355 0.85 LMNA (0.52) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL13741273 0.85
SCHEMBL9949899 0.85
SCHEMBL13392137 0.85
SCHEMBL1005605 0.83 LMNA (0.50) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL2464426 0.83 TDP1 (0.50) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL1005608 0.83 LMNA (0.50) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL13741465 0.83
SCHEMBL15754781 0.83 LMNA (0.44) LMNATDP1CNR1ADRA1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877756-B2 Substituted pteridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-20100120766-A1 Substituted Pteridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US disclosed
US-7674788-B2 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-09 US disclosed
EP-1644318-B1 METHOD FOR SYNTHESIZING CERAMIDE-TYPE COMPOUNDS BIOCHIMIE APPLIQUEE SA SOLABIA (FR) 2008-05-07 EP disclosed
US-20070287704-A1 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-13 US disclosed
US-4602106-A Process for producing hydroxyalkylaminoacetic acids SOCIETE FRANCAISE HOECHST (FR) 1986-07-22 US disclosed
US-4192769-A Rust inhibitor additive compositions, method of making, and aqueous fluids containing the same THE LUBRIZOL CORPORATION (US) 1980-03-11 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 (2 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-20100120766-A1 Substituted Pteridines PMP22, TLR5, NQO1 LMNA 2998/4885TDP1 893/4885CNR1 484/4885
US-20070287704-A1 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE4C LMNA 4169/4885TDP1 62/4885CNR1 854/4885

“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.