SCHEMBL22800084

SCHEMBL22800084

CCCCCc1ncccc1C(=O)N[C@@H](CCC)C(=O)N(C)OC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 5/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ CNR1 P21554 3/20 0.37
▸ CNR2 P34972 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GPR132 Q9UNW8 3/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ CTSB P07858 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
SCHEMBL22800875 0.76 JAK3 (0.37) CAPN1JAK3BTKCTSB
SCHEMBL7675284 0.73 TDP1 (0.47) KMT2AMAPT
SCHEMBL30605720 0.72 TDP1 (0.46) KMT2AMAPT
SCHEMBL29286541 0.72 TSHR (0.39) MAPT
SCHEMBL25658926 0.70 KMT2A (0.54) CAPN1KMT2ACNR1CNR2TAS1R3
SCHEMBL22800217 0.69 DCAF1 (0.41) KMT2AMAPT
SCHEMBL7386044 0.69 GABRP (0.51) MAPT
SCHEMBL22799852 0.69 CTSK (0.37) CAPN1CNR1CNR2
SCHEMBL135492 0.68 GABRP (0.50) MAPT
SCHEMBL5002408 0.68 GABRP (0.50) MAPT

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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Knobbe, Martens, Olson & Bear, LLP 2020-12-17 — — 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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN2, CAPN1 CAPN1 3/4885KMT2A 3635/4885CNR1 2678/4885

“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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