SCHEMBL22886540

SCHEMBL22886540

Cn1cc(C(=O)NC(Cc2ccccc2)C(O)C(N)=O)c(-c2ccc3cccnc3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 2/20 0.44
▸ ADORA2A P29274 3/20 0.43
▸ DCAF1 Q9Y4B6 1/20 0.43
▸ CAPN1 P07384 7/20 0.42
▸ CNR1 P21554 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ CCR1 P32246 2/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39

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
SCHEMBL22886099 0.86 CAPN1 (0.59) CAPN1
SCHEMBL22897214 0.82 DCAF1 (0.51) PYGLDCAF1CNR1CNR2
SCHEMBL20027914 0.82 DCAF1 (0.48) PYGLADORA2ADCAF1CAPN1
SCHEMBL20028717 0.81 DCAF1 (0.50) PYGLDCAF1CNR1CNR2CCR1
SCHEMBL22885968 0.80 DCAF1 (0.49) PYGLADORA2ADCAF1CNR1CNR2
SCHEMBL20028410 0.79 CAPN1 (0.59) CAPN1
SCHEMBL22885969 0.79 DCAF1 (0.48) PYGLDCAF1
SCHEMBL20028150 0.78 DCAF1 (0.41) PYGLDCAF1CAPN1CNR1CNR2
SCHEMBL20027718 0.78 DCAF1 (0.51) PYGLDCAF1
SCHEMBL22897243 0.78 DCAF1 (0.51) PYGLDCAF1

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-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPERTICS INC (US) 2021-01-14 — — 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-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 PYGL 719/4885ADORA2A 3846/4885DCAF1 2355/4885

“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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