SCHEMBL21881835

SCHEMBL21881835

CC(C)C(=O)c1csc(-c2ccccn2)n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.55
TLR7 Q9NYK1 9/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
RAB9A P51151 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
GFER P55789 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KMT2A Q03164 1/20 0.45
CYP19A1 P11511 1/20 0.44
GRM1 Q13255 1/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.43
MAP3K5 Q99683 1/20 0.42

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
SCHEMBL24247724 0.83 PDE10A (0.55) PDE10ATLR7ALDH1A1KDM4ERAB9A
SCHEMBL2550713 0.82 PDE10A (0.57) PDE10ATLR7ALDH1A1KDM4ERAB9A
SCHEMBL2100275 0.81 HTR2B (0.59) PDE10ATLR7ALDH1A1KDM4ERAB9A
SCHEMBL2549198 0.80 MAOA (0.59) PDE10ATLR7ALDH1A1KDM4ERAB9A
SCHEMBL20646870 0.80 PDE10A (0.55) PDE10ATLR7ALDH1A1KDM4ERAB9A
SCHEMBL12158528 0.79 HDAC1 (0.60) TLR7ALDH1A1KDM4ERAB9AMAPT
SCHEMBL2551392 0.77 TLR7 (0.56) PDE10ATLR7ALDH1A1
SCHEMBL31341080 0.77 TLR7 (0.56) PDE10ATLR7ALDH1A1
SCHEMBL2436892 0.77 LMNA (0.62) PDE10ATLR7ALDH1A1RAB9AMAPT
SCHEMBL31341038 0.77 LMNA (0.62) PDE10ATLR7ALDH1A1RAB9AMAPT

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-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 EP disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 PDE10A 195/4885TLR7 1792/4885ALDH1A1 895/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA PDE10A 186/4885TLR7 1860/4885ALDH1A1 892/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA PDE10A 195/4885TLR7 1792/4885ALDH1A1 895/4885

“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.