SCHEMBL19902397

SCHEMBL19902397

CCC(=O)c1cnn2cc(OCC(O)C(F)(F)F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.39
PDE3A Q14432 1/20 0.39
PDE10A Q9Y233 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
ROCK2 O75116 10/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL17454425 0.90 ROCK2 (0.39) PDE2APDE3APDE10APSEN1PSEN2
SCHEMBL17437934 0.87 ROCK2 (0.39) PDE2APDE3APDE10APSEN1PSEN2
SCHEMBL24247778 0.87 ROCK2 (0.46) PDE2APDE3APDE10AROCK2MAPT
SCHEMBL23889082 0.87 PDE2A (0.38) PDE2AROCK2MAPTLMNAGAA
SCHEMBL17452642 0.86 ROCK2 (0.37) PDE2APDE3APDE10APSEN1PSEN2
SCHEMBL20654123 0.83 ROCK2 (0.49) PDE2APDE3APDE10AROCK2RAB9A
SCHEMBL20647024 0.82 ROCK2 (0.40) PDE2APDE3APDE10AROCK2MAPT
SCHEMBL20646991 0.82 ROCK2 (0.45) PDE2APDE3APDE10AROCK2
SCHEMBL19902675 0.82 ROCK2 (0.47) PDE2APDE3APDE10AROCK2
SCHEMBL24247786 0.80 NR1I2 (0.39) PDE2AROCK2MAPTGAARAB9A

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 3 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-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 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-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK ROCK1, MYLK, RHOA PDE2A 60/4885PDE3A 22/4885PDE10A 195/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA PDE2A 60/4885PDE3A 22/4885PDE10A 195/4885

“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.