SCHEMBL4216299

SCHEMBL4216299

CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[Cu]Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.41
ANPEP P15144 5/20 0.41
GABRA1 P14867 3/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRB2 P47870 2/20 0.39
TSHR P16473 2/20 0.39
FAAH O00519 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 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
SCHEMBL16652685 0.83 GABRA1 (0.42) DPP4ANPEPGABRA1GABRG2GABRB3
SCHEMBL19252969 0.83 DPP4 (0.40) DPP4ANPEPGABRA1GABRG2GABRB3
SCHEMBL4224163 0.83 GABRA1 (0.38) DPP4ANPEPGABRA1GABRG2GABRB3
SCHEMBL1823058 0.83 GABRA1 (0.38) DPP4ANPEPGABRA1GABRG2GABRB3
SCHEMBL4218499 0.80 DPP4 (0.38) DPP4ANPEPGABRA1GABRG2GABRB3
SCHEMBL21723903 0.80 GABRA1 (0.41) DPP4ANPEPGABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL2798765 0.78 GABRA1 (0.40) DPP4ANPEPGABRA1GABRG2GABRB3
SCHEMBL16267050 0.78 GABRA1 (0.43) DPP4ANPEPGABRA1GABRG2GABRB3
SCHEMBL22320712 0.76 GABRA1 (0.41) DPP4ANPEPGABRA1GABRG2GABRB3
SCHEMBL16655509 0.76 DPP4 (0.45) DPP4ANPEPGABRA1GABRG2GABRB3

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-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2009-03-12 US claimed
US-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2009-03-12 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-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES PF4, AFF4, FLI1 DPP4 341/4885ANPEP 3071/4885GABRA1 74/4885

“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.