SCHEMBL21206409

SCHEMBL21206409

N[C@@H](Cc1ccc(F)c(F)c1)CC1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 9/20 0.43
▸ DPP7 Q9UHL4 4/20 0.42
▸ DAO P14920 1/20 0.37
▸ DPP8 Q6V1X1 4/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ AKT1 P31749 1/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ AKT3 Q9Y243 1/20 0.35
▸ PIN1 Q13526 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ MAOB P27338 1/20 0.33

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
SCHEMBL1530040 0.78 CASP3 (0.43) DPP4DPP7
SCHEMBL20912879 0.78 CASP3 (0.43) DPP4DPP7
SCHEMBL1530042 0.78 CASP3 (0.43) DPP4DPP7
Hydrochloric Acid SCHEMBL1641409 0.77 DPP4 (0.43) DPP4DPP7DPP8
SCHEMBL20925878 0.76 DPP4 (0.42) DPP4DPP7
SCHEMBL29478387 0.70 DPP4 (0.59) DPP4DPP7DPP8PIN1KCNH2
SCHEMBL29478415 0.70 DPP4 (0.59) DPP4DPP7DPP8PIN1KCNH2
SCHEMBL2027308 0.70 DPP4 (0.59) DPP4DPP7DPP8PIN1KCNH2
SCHEMBL2031965 0.70 DPP4 (0.59) DPP4DPP7DPP8PIN1KCNH2
SCHEMBL2027312 0.70 DPP4 (0.59) DPP4DPP7DPP8PIN1KCNH2

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-10654868-B2 Dihydropyrazole azepine compound serving as Akt inhibitor Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2020-05-19 — — US disclosed
US-20190233434-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2019-08-01 — — 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-10654868-B2 Dihydropyrazole azepine compound serving as Akt inhibitor AKT3, AKT2, AKT1 DPP4 938/4885DPP7 560/4885DAO 3017/4885
US-20190233434-A1 DIHYDROPYRAZOLE AZEPINE COMPOUND SERVING AS AKT INHIBITOR AKT3, AKT2, AKT1 DPP4 938/4885DPP7 560/4885DAO 3017/4885

“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.

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