SCHEMBL22799645

SCHEMBL22799645

C=CCCOc1ccnc(-c2ccccc2C(=O)N[C@@H](CC=C)C(=O)N(C)OC)n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ JAK3 P52333 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ SLC37A4 O43826 1/20 0.31
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ CAPN1 P07384 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ NPC1 O15118 1/20 0.30

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
SCHEMBL22800873 0.96 JAK3 (0.33) KDM4ETSHRJAK3BTKCYP1A2
SCHEMBL22799653 0.85 KDM4E (0.32) KDM4ESLC37A4CAPN1
SCHEMBL22800303 0.83 FNTA (0.35) KDM4ESLC37A4CAPN1ALDH1A1
SCHEMBL22800875 0.81 JAK3 (0.37) JAK3BTKCAPN1
SCHEMBL22800181 0.80 KDM4E (0.37) KDM4EALDH1A1
SCHEMBL22800283 0.79 FNTA (0.34) KDM4EJAK3BTKCAPN1ALDH1A1
SCHEMBL22800179 0.79 KDM4E (0.43) EDNRAKDM4EALDH1A1
SCHEMBL22800990 0.78 FNTA (0.35) KDM4E
SCHEMBL22800170 0.76 KDM4E (0.43) KDM4ETSHRHCRTR1ALDH1A1
SCHEMBL22800180 0.75 KDM4E (0.44) EDNRAKDM4ESLC37A4ALDH1A1NPC1

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 EDNRA 1847/4885KDM4E 1957/4885TSHR 4556/4885

“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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