SCHEMBL2640503

SCHEMBL2640503

CCC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.35
NAMPT P43490 1/20 0.34
PRMT1 Q99873 1/20 0.34
OPRM1 P35372 1/20 0.33
BLM P54132 1/20 0.33
ROCK1 Q13464 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KIT P10721 2/20 0.33
LMNA P02545 1/20 0.31
GRM5 P41594 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31

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
SCHEMBL28954013 0.89 P2RX7 (0.43) P2RX7MAPK1ROCK1MEN1KMT2A
SCHEMBL24104909 0.88 P2RX7 (0.42) P2RX7MAPK1ROCK1MEN1KMT2A
SCHEMBL19015868 0.87 P2RX7 (0.39) P2RX7MAPK1NAMPTROCK1MEN1
SCHEMBL29799706 0.86 NAMPT (0.42) P2RX7MAPK1ALDH1A1NAMPTROCK1
SCHEMBL24105059 0.85 NAMPT (0.40) P2RX7MAPK1ALDH1A1NAMPTTSHR
SCHEMBL16990098 0.85 MEN1 (0.50) P2RX7MAPK1ALDH1A1NAMPTROCK1
SCHEMBL24104360 0.85 P2RX7 (0.40) P2RX7MAPK1NAMPTROCK1MEN1
SCHEMBL14611675 0.85 P2RX7 (0.40) P2RX7MAPK1NAMPTROCK1MEN1
SCHEMBL24096425 0.84 P2RX7 (0.39) P2RX7MAPK1ALDH1A1ROCK1MEN1
SCHEMBL18150813 0.84 P2RX7 (0.39) P2RX7MAPK1NAMPTROCK1MEN1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260034140-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LTD (GB) 2026-02-05 US disclosed
US-12453734-B2 Modulators of rho-associated protein kinase REDX PHARMA LIMITED (GB) 2025-10-28 US disclosed
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2024-07-04 US disclosed
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2024-07-04 US disclosed
US-11878020-B2 Modulators of Rho-associated protein kinase REDX PHARMA PLC (GB) 2024-01-23 US disclosed
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2023-01-26 US disclosed
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2023-01-26 US disclosed
US-11497751-B2 Modulators of Rho-associated protein kinase REDX PHARMA PLC (GB) 2022-11-15 US disclosed
EP-4026834-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Plc (GB) 2022-07-13 EP disclosed
EP-4026834-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Plc (GB) 2022-07-13 EP disclosed
WO-2019145729-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2019-08-01 WO disclosed
US-8969356-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-03 US disclosed
US-8969356-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-03 US disclosed
US-8969356-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-03 US disclosed
EP-2568984-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2013-03-20 EP disclosed
US-20120178756-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-20120178756-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-20120178756-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
WO-2011143399-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 WO disclosed
WO-2011143399-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 WO 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 (7 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-20120178756-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 P2RX7 1939/4885MAPK1 141/4885ALDH1A1 3898/4885
US-20260034140-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK1, ROCK2, RHOA P2RX7 2945/4885MAPK1 62/4885ALDH1A1 4825/4885
US-12453734-B2 Modulators of rho-associated protein kinase ROCK2, ROCK1, RHOA P2RX7 3873/4885MAPK1 286/4885ALDH1A1 4441/4885
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA P2RX7 3873/4885MAPK1 286/4885ALDH1A1 4441/4885
US-11497751-B2 Modulators of Rho-associated protein kinase ROCK2, ROCK1, RHOA P2RX7 3836/4885MAPK1 278/4885ALDH1A1 4405/4885
US-11878020-B2 Modulators of Rho-associated protein kinase ROCK2, ROCK1, RHOA P2RX7 3873/4885MAPK1 286/4885ALDH1A1 4441/4885
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA P2RX7 3873/4885MAPK1 286/4885ALDH1A1 4441/4885

“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.