SCHEMBL21822290

SCHEMBL21822290

N=C(N)c1ccc2cc(C(=O)NC3CCN(CCCN)CC3)n(Cc3ccc(C(F)(F)F)cc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 5/20 0.51
▸ F2 P00734 2/20 0.50
▸ ST14 Q9Y5Y6 2/20 0.50
▸ F10 P00742 2/20 0.50
▸ PRSS1 P07477 1/20 0.50
▸ PRSS2 P07478 1/20 0.50
▸ PRSS3 P35030 1/20 0.50
▸ SLC6A5 Q9Y345 8/20 0.47
▸ TEAD1 P28347 1/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ HTR2A P28223 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41

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
SCHEMBL21822512 0.92 DRD4 (0.50) DRD4F2ST14F10PRSS1
SCHEMBL28598763 0.90 SLC6A5 (0.49) DRD4F2ST14F10PRSS1
SCHEMBL21822299 0.88 DRD4 (0.50) DRD4F10SLC6A5TEAD1DRD2
SCHEMBL21822334 0.88 DRD4 (0.49) DRD4F2ST14F10PRSS1
SCHEMBL25015660 0.86 DRD4 (0.48) DRD4F2ST14F10PRSS1
SCHEMBL21822166 0.86 CCR9 (0.48) DRD4F10SLC6A5TEAD1DRD2
SCHEMBL25017270 0.85 DRD4 (0.47) DRD4F2F10PRSS1SLC6A5
SCHEMBL28588320 0.84 SLC6A5 (0.48) DRD4F2F10PRSS1SLC6A5
SCHEMBL21822510 0.82 F10 (0.47) DRD4F2F10PRSS1SLC6A5
SCHEMBL21822344 0.82 ST14 (0.55) DRD4F2ST14F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 — — US disclosed
EP-3860636-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF Disc Medicine, Inc. (US) 2021-08-11 — — EP disclosed
WO-2020072580-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. (US) 2020-04-09 — — WO 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-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 DRD4 4826/4885F2 408/4885ST14 150/4885

“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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