SCHEMBL20646911

SCHEMBL20646911

CC(C)C(=O)c1nn(CC(C)(C)O)c2ncccc12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ CFD P00746 10/20 0.37
▸ ELANE P08246 2/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL19127918 0.86 L3MBTL1 (0.44) HTR3AL3MBTL1CNR1CNR2CFD
SCHEMBL23889077 0.86 CFD (0.47) L3MBTL1CFD
SCHEMBL17170637 0.81 HTR3A (0.56) HTR3AL3MBTL1CNR1CNR2CFD
SCHEMBL17321415 0.81 ROCK1 (0.47) HTR3ACNR1CNR2ALDH1A1
SCHEMBL17321448 0.75 HTR3A (0.48) HTR3ACNR1CNR2ATMALDH1A1
SCHEMBL24247699 0.75 L3MBTL1 (0.43) L3MBTL1ELANEPTGDR2ATMALDH1A1
SCHEMBL21946568 0.72 ROCK1 (0.37) CFDELANEALDH1A1
SCHEMBL20646853 0.72 ELANE (0.38) CNR1ELANE
SCHEMBL17452687 0.72 PDGFRA (0.38) ELANE
SCHEMBL17321437 0.72 P2RX7 (0.39) CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-10 — — US disclosed
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-04-30 — — US disclosed
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-07 — — US disclosed
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-01-17 — — 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 (4 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-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK ROCK1, MYLK, RHOA HTR3A 442/4885L3MBTL1 4686/4885CNR1 2106/4885
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA HTR3A 454/4885L3MBTL1 4713/4885CNR1 2064/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA HTR3A 454/4885L3MBTL1 4713/4885CNR1 2064/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA HTR3A 442/4885L3MBTL1 4686/4885CNR1 2106/4885

“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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