SCHEMBL20646954

SCHEMBL20646954

COc1ccc2c(C(C)=O)cnn2c1CCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 8/20 0.34
▸ MAPT P10636 3/20 0.33
▸ NR4A1 P22736 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ PRKAB2 O43741 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ LYN P07948 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ TGFBR2 P37173 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ SIK1 P57059 1/20 0.33
▸ PRKAA1 Q13131 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
SCHEMBL19128175 0.90 KDM4E (0.45) LMNAKDM4EKMT2AMEN1ALDH1A1
SCHEMBL23889040 0.88 SLC6A9 (0.35) LMNAKDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL20646956 0.87 LMNA (0.36) LMNAKDM4EKMT2AMEN1ALDH1A1
SCHEMBL20647111 0.85 CNR2 (0.39) —
SCHEMBL23888982 0.81 ERN1 (0.34) LMNAALDH1A1
SCHEMBL19128038 0.77 EPHX2 (0.35) LMNAKDM4EKMT2AMEN1MAPT
SCHEMBL19150259 0.77 ALDH1A1 (0.36) KDM4EKMT2AMEN1ALDH1A1GAA
SCHEMBL20646868 0.76 SLC6A9 (0.34) —
SCHEMBL19128573 0.76 CNR2 (0.39) LMNAKDM4EKMT2AMEN1
SCHEMBL24247736 0.76 KDM4E (0.39) KDM4EKMT2AMEN1ALDH1A1MAPT

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
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 — — EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 — — EP 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 (2 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-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA LMNA 1214/4885KDM4E 2298/4885KMT2A 2037/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA LMNA 1214/4885KDM4E 2298/4885KMT2A 2037/4885

“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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