SCHEMBL25016101

SCHEMBL25016101

CC(C)(C)OC(=O)NC(=N)c1ccc2cc(C(=O)N3CCC(CO)CC3)n(Cc3cccc4ccccc34)c2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 14/20 0.44
▸ HTR2A P28223 1/20 0.42
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CNR2 P34972 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ ACHE P22303 1/20 0.35

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
SCHEMBL25015739 0.90 CYP3A4 (0.38) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL25015970 0.90 CYP3A4 (0.38) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL25015964 0.89 CNR2 (0.39) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL25016295 0.88 USP30 (0.41) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL25016100 0.88 USP30 (0.41) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL25017943 0.87 ACHE (0.43) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL25015770 0.85 KDM4E (0.49) ACHE
SCHEMBL21822737 0.84 CTSS (0.42) —
SCHEMBL31689662 0.84 CTSS (0.42) —
SCHEMBL28598750 0.84 F10 (0.40) —

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-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 — — 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-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 HTR2C 876/4885HTR2A 540/4885CYP1A2 1458/4885

“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.

Send feedback