SCHEMBL1209042

SCHEMBL1209042

COC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.68
CA2 P00918 3/20 0.68
CA4 P22748 3/20 0.68
CA6 P23280 3/20 0.68
CA7 P43166 3/20 0.68
CA9 Q16790 3/20 0.68
CA13 Q8N1Q1 3/20 0.68
ALDH1A1 P00352 2/20 0.68
CA12 O43570 2/20 0.68
CA5B Q9Y2D0 2/20 0.68
CA14 Q9ULX7 1/20 0.68
GAA P10253 1/20 0.68
MAPT P10636 5/20 0.65
RXFP1 Q9HBX9 1/20 0.61
POLB P06746 2/20 0.61
RECQL P46063 1/20 0.61
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55

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
SCHEMBL19793283 0.87 MAPK1 (0.70) CA1CA2CA4CA6CA7
SCHEMBL1777398 0.87 ALDH1A1 (0.70) CA1CA2CA4CA6CA7
SCHEMBL3365457 0.87 ALDH1A1 (0.70) CA1CA2CA4CA6CA7
SCHEMBL3365627 0.87 ALDH1A1 (0.70) CA1CA2CA4CA6CA7
SCHEMBL9031939 0.87 MAPK1 (0.70) CA1CA2CA4CA6CA7
SCHEMBL2215736 0.86 ALDH1A1 (0.68) CA1CA2CA4CA6CA7
SCHEMBL6265330 0.86 ALDH1A1 (0.70) CA1CA2CA4CA6CA7
SCHEMBL6271004 0.86 ALDH1A1 (0.76) CA1CA2CA4CA6CA7
SCHEMBL892079 0.85 ALDH1A1 (0.67) CA1CA2CA4CA6CA7
SCHEMBL17967147 0.85 ALDH1A1 (0.67) CA1CA2CA4CA6CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301260-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-28 US disclosed
EP-3268360-B1 LACTAMS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-04-24 EP disclosed
EP-3268360-B1 LACTAMS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-04-24 EP disclosed
US-10112929-B2 Lactams as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-10-30 US disclosed
US-20180044326-A1 LACTAMS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMAPANY (US) 2018-02-15 US disclosed
US-20180044326-A1 LACTAMS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMAPANY (US) 2018-02-15 US disclosed
US-20180044326-A1 LACTAMS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMAPANY (US) 2018-02-15 US disclosed
EP-3268360-A1 LACTAMS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2018-01-17 EP disclosed
US-20170081282-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-03-23 US disclosed
EP-3140294-A1 PYRROLIDINE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2017-03-15 EP disclosed
WO-2016144936-A1 LACTAMS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-15 WO disclosed
WO-2016144936-A1 LACTAMS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-15 WO disclosed
WO-2015171757-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-12 WO disclosed
US-20110046105-A1 Heterocycle-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising them and use thereof SANOFI-AVENTIS (FR) 2011-02-24 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 (5 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-20170081282-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR4 CA1 4603/4885CA2 2113/4885CA4 3259/4885
US-20180044326-A1 LACTAMS AS INHIBITORS OF ROCK MYLK, ROCK1, RHOA CA1 1024/4885CA2 354/4885CA4 926/4885
US-10301260-B2 Pyrrolidine GPR40 modulators GPR55, GPR65, GPR4 CA1 4603/4885CA2 2113/4885CA4 3259/4885
US-20110046105-A1 Heterocycle-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising them and use thereof GIPR, DDC, PGC CA1 4518/4885CA2 2446/4885CA4 2162/4885
US-10112929-B2 Lactams as inhibitors of rock MYLK, ROCK1, RHOA CA1 1137/4885CA2 349/4885CA4 986/4885

“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.