SCHEMBL21854083

SCHEMBL21854083

CCOC(=O)c1cn(C)nc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GPR119 Q8TDV5 3/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP2C19 P33261 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 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
SCHEMBL22886439 0.85 ACHE (0.45) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL21854184 0.81 MEN1 (0.50) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL31167811 0.80 MEN1 (0.52) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL29089138 0.80 POLB (0.56) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL14598714 0.80 OPRK1 (0.48) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL5863371 0.80 MAPT (0.46) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL1580191 0.79 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL1580545 0.78 POLB (0.47) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL14598663 0.78 MEN1 (0.53) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL1522008 0.78 MEN1 (0.50) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS INC (US) 2022-10-13 US disclosed
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
US-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPERTICS INC (US) 2021-01-14 US disclosed
US-20200123114-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2020-04-23 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 (6 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-20200123114-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 SMN1; SMN2 200/4885ALDH1A1 4193/4885MAPT 562/4885
US-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 SMN1; SMN2 200/4885ALDH1A1 4193/4885MAPT 562/4885
US-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 SMN1; SMN2 1008/4885ALDH1A1 4344/4885MAPT 483/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 SMN1; SMN2 263/4885ALDH1A1 4421/4885MAPT 330/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 SMN1; SMN2 200/4885ALDH1A1 4193/4885MAPT 562/4885
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 SMN1; SMN2 200/4885ALDH1A1 4193/4885MAPT 562/4885

“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.