SCHEMBL3758015

SCHEMBL3758015

N[C@@H]([C]=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.50
F2 P00734 1/20 0.50
HTR2A P28223 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL1036920 1.00 DPP4 (0.50) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL1036918 1.00 DPP4 (0.50) DPP4F2HTR2ATAAR1ADRA2A
Hydrochloric Acid SCHEMBL10821176 0.97 DPP4 (0.48) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL9665245 0.77 MAPT (0.40) LMNAHIF1AKDM4E
SCHEMBL7327739 0.75 DPP4 (0.46) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL29012807 0.75 ESR1 (0.43) TAAR1LMNAHIF1AKDM4ECYP2D6
SCHEMBL2639449 0.75 DPP4 (0.46) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL11243676 0.75 ESR1 (0.43) TAAR1LMNAHIF1AKDM4ECYP2D6
SCHEMBL349497 0.75 ESR1 (0.43) TAAR1LMNAHIF1AKDM4ECYP2D6
SCHEMBL28015635 0.75 DPP4 (0.46) DPP4F2HTR2ATAAR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5494666-A BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US claimed
US-5464617-A 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics HOFFMANN-LA ROCHE INC. (US) 1995-11-07 US claimed
EP-0671401-A1 Beta lactames F. HOFFMANN-LA ROCHE AG (CH) 1995-09-13 EP claimed
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
US-5494666-A BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
US-5464617-A 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics HOFFMANN-LA ROCHE INC. (US) 1995-11-07 US disclosed
EP-0671401-A1 Beta lactames F. HOFFMANN-LA ROCHE AG (CH) 1995-09-13 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 (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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 DPP4 2004/4885F2 4488/4885HTR2A 2476/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 DPP4 2004/4885F2 4488/4885HTR2A 2476/4885

“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.