SCHEMBL19355571

SCHEMBL19355571

Cc1ccc(CN2CCC(C)C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ PIK3CD O00329 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ GRIN2B Q13224 1/20 0.46

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
SCHEMBL16509677 0.87 GRM2 (0.49) SMN1; SMN2PIK3CD
SCHEMBL13573037 0.87 GRM2 (0.49) SMN1; SMN2PIK3CD
SCHEMBL8292105 0.85 ALDH1A1 (0.49) PIK3CDLMNA
SCHEMBL12169472 0.85 PIK3CD (0.50) KCNH2PIK3CDKMT2A
SCHEMBL12015723 0.85 PIK3CD (0.50) KCNH2PIK3CDKMT2A
SCHEMBL9424540 0.85 PIK3CD (0.50) KCNH2PIK3CDKMT2A
SCHEMBL16874589 0.82 KCNH2 (0.54) KCNH2SMN1; SMN2LMNAGRIN2B
SCHEMBL16874550 0.82 KCNH2 (0.51) KCNH2SMN1; SMN2TP53LMNAKMT2A
SCHEMBL31110446 0.82 KCNH2 (0.54) KCNH2SMN1; SMN2LMNAGRIN2B
SCHEMBL16874593 0.82 KCNH2 (0.54) KCNH2SMN1; SMN2LMNAGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-04-29 — — US disclosed
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-05-28 — — US disclosed
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-04-25 — — US disclosed
US-20180110766-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-04-26 — — US disclosed
US-20170258777-A1 Selective NR2B Antagonists BRISTOL MYERS SQUIBB CO (US) 2017-09-14 — — 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 (5 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-20210121453-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A KCNH2 1017/4885SMN1; SMN2 322/4885PIK3CD 2682/4885
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A KCNH2 1017/4885SMN1; SMN2 322/4885PIK3CD 2682/4885
US-20170258777-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A KCNH2 1017/4885SMN1; SMN2 322/4885PIK3CD 2682/4885
US-20180110766-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A KCNH2 1017/4885SMN1; SMN2 322/4885PIK3CD 2682/4885
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A KCNH2 1017/4885SMN1; SMN2 322/4885PIK3CD 2682/4885

“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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