SCHEMBL19902540

SCHEMBL19902540

CC(C)c1n[nH]c(=O)c2c1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 16/20 0.51
▸ GAA P10253 2/20 0.45
▸ PTK2B Q14289 2/20 0.45
▸ PPARG P37231 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NR2E3 Q9Y5X4 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40

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
SCHEMBL19902539 0.96 PARP1 (0.48) PARP1GAAPTK2BPPARGRXFP1
SCHEMBL1251951 0.81 POLB (0.51) PARP1
SCHEMBL18237877 0.79 MEN1 (0.36) PARP1GAAPTK2BSMN1; SMN2
SCHEMBL18238523 0.79 MEN1 (0.36) PARP1
SCHEMBL11914651 0.78 HCAR2 (0.46) GAAPTK2BRXFP1SMN1; SMN2
SCHEMBL19131102 0.78 PARP1 (0.35) PARP1
SCHEMBL19131869 0.78 PARP1 (0.46) PARP1
SCHEMBL18237565 0.78 PARP1 (0.40) PARP1PDE4APDE4BPDE4CPDE4D
SCHEMBL18237564 0.78 PARP1 (0.35) PARP1GAAPTK2BPPARGRXFP1
SCHEMBL18237613 0.78 PARP1 (0.40) PARP1GAAPTK2BPPARGRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10730858-B2 Lactam, cyclic urea and carbamate, and triazolone derivatives as potent and selective rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 — — US disclosed
EP-3481816-B1 LACTAM, CYCLIC UREA AND CARBAMATE, AND TRIAZOLONE DERIVATIVES AS POTENT AND SELECTIVE ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-24 — — EP disclosed
US-20190300510-A1 LACTAM, CYCLIC UREA AND CARBAMATE, AND TRIAZOLONE DERIVATIVES AS POTENT AND SELECTIVE ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-03 — — US disclosed
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 — — US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 — — US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 — — US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 — — 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-20190300510-A1 LACTAM, CYCLIC UREA AND CARBAMATE, AND TRIAZOLONE DERIVATIVES AS POTENT AND SELECTIVE ROCK INHIBITORS MYLK, ROCK1, ROCK2 PARP1 1082/4885GAA 3153/4885PTK2B 1398/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT PARP1 2195/4885GAA 36/4885PTK2B 2067/4885
US-10730858-B2 Lactam, cyclic urea and carbamate, and triazolone derivatives as potent and selective rock inhibitors MYLK, ROCK1, MYLK2 PARP1 914/4885GAA 3385/4885PTK2B 1237/4885
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 PARP1 1915/4885GAA 4260/4885PTK2B 435/4885

“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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