SCHEMBL22897334

SCHEMBL22897334

C[C@H](NC(=O)c1cccc(Cl)c1)C(=O)N1CCN(C(=N)C(F)(F)F)C(=N)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.61
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 2/20 0.40
CCR1 P32246 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
ITGA5 P08648 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37

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
SCHEMBL22897328 0.76 DPP4 (1.00) DPP4
SCHEMBL4502814 0.72 CCR1 (0.65) DPP4CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL2159729 0.69 CCR1 (0.67) CCR1KCNH2
SCHEMBL2158845 0.67 CCR1 (0.67) DPP4CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL5747070 0.67 HPGD (0.61) DPP4CYP2C19KMT2ANPC1RAB9A
SCHEMBL2159492 0.67 HPGD (0.61) DPP4CYP2C19KMT2ANPC1RAB9A
SCHEMBL8802537 0.66 HPGD (0.59) CYP2C19KMT2ANPC1RAB9AHPGD
SCHEMBL22151090 0.66 HPGD (0.59) CYP2C19KMT2ANPC1RAB9AHPGD
SCHEMBL5448808 0.65 HPGD (0.70) CYP2C19KMT2ANPC1RAB9AL3MBTL1
SCHEMBL7399516 0.65 HPGD (0.66) CYP2C19KMT2ANPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894794-B1 Substituted [1,2,4]triazolo[4,3-a]pyrazines as antidiabetics KING ABDULAZIZ UNIVERSITY (SA) 2021-01-19 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-10894794-B1 Substituted [1,2,4]triazolo[4,3-a]pyrazines as antidiabetics DPP4, DPP3, DPP7 DPP4 1/4885CYP2C19 1168/4885CYP1A2 431/4885

“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.