SCHEMBL31121176

SCHEMBL31121176

O=C(CC[C@]1(C2CC2)CNCN1)N1Cc2cccc(F)c2C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 2/20 0.40
▸ DPP9 Q86TI2 2/20 0.40
▸ DPP7 Q9UHL4 2/20 0.40
▸ ADAMTS5 Q9UNA0 9/20 0.38
▸ TRAP1 Q12931 6/20 0.38
▸ HSP90B1 P14625 2/20 0.37
▸ NAMPT P43490 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP13 P45452 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL31121187 0.82 DPP4 (0.44) DPP8DPP9DPP7ADAMTS5NAMPT
SCHEMBL31121184 0.78 FAP (0.39) ADAMTS5NAMPTMMP2MMP13
SCHEMBL23745411 0.76 ADAMTS5 (0.62) ADAMTS5MMP2MMP13
SCHEMBL30012633 0.76 NAMPT (0.33) NAMPTMEN1
SCHEMBL30013223 0.75 ABHD6 (0.38) NAMPT
SCHEMBL30013191 0.70 ADAMTS5 (0.34) ADAMTS5MMP2MMP13
SCHEMBL3478866 0.69 DPP8 (0.60) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL23745420 0.69 ADAMTS5 (0.56) DPP8DPP9DPP7ADAMTS5
SCHEMBL3055486 0.66 TRAP1 (0.56) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL497487 0.66 TRAP1 (0.56) DPP8DPP9DPP7TRAP1HSP90B1

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-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD (CN) 2024-09-12 — — 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-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF ADAMTS5, ADAMTS4, ADAMTS1 DPP8 138/4885DPP9 91/4885DPP7 119/4885

“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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