SCHEMBL21231892

SCHEMBL21231892

Cc1oc(=O)oc1COC(=O)N[C@]1(c2ccccc2Cl)CCCCC1O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 0.34
▸ TMEM97 Q5BJF2 6/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ DPP4 P27487 2/20 0.34
▸ CHRM1 P11229 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ ADRA1A P35348 1/20 0.33

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
SCHEMBL21231890 0.81 GRIN1 (0.50) —
SCHEMBL21220099 0.81 GRIN1 (0.50) —
SCHEMBL21231908 0.74 SIGMAR1 (0.37) SIGMAR1TMEM97HDAC4
SCHEMBL30207506 0.72 SIGMAR1 (0.46) SIGMAR1TMEM97HDAC4
SCHEMBL30207587 0.72 SIGMAR1 (0.46) SIGMAR1TMEM97HDAC4
SCHEMBL21282143 0.70 GRIN1 (0.32) DPP4
SCHEMBL31757292 0.70 TSHR (0.54) GAA
SCHEMBL21166718 0.70 TSHR (0.54) GAA
SCHEMBL14358126 0.70 SIGMAR1 (0.56) SIGMAR1TMEM97
SCHEMBL21166840 0.70 SIGMAR1 (0.56) SIGMAR1TMEM97

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-20190240184-A1 PHARMACEUTICAL APPLICATIONS FOR (S)-NORKETAMINE AND SALTS THEREOF NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2019-08-08 — — 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-20190240184-A1 PHARMACEUTICAL APPLICATIONS FOR (S)-NORKETAMINE AND SALTS THEREOF SYMPK, KHK, BCKDK SIGMAR1 479/4885TMEM97 918/4885HDAC4 1253/4885

“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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