SCHEMBL20601320

SCHEMBL20601320

COC(=O)N1CCC(CC(NC(=O)c2ccc(F)cc2)c2ccc(OC)nc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 6/20 0.45
KCNH2 Q12809 2/20 0.44
MCHR1 Q99705 2/20 0.44
ROCK2 O75116 3/20 0.43
ROCK1 Q13464 3/20 0.43
MAPK1 P28482 1/20 0.43
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
PKM P14618 1/20 0.39
RORC P51449 1/20 0.39
CTSL P07711 1/20 0.39
NR3C1 P04150 1/20 0.38
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38

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
SCHEMBL20601280 0.94 KCNK3 (0.45) KCNK3KCNH2MCHR1MAPK1
SCHEMBL20601454 0.93 KCNK3 (0.44) KCNK3KCNH2MCHR1ROCK2ROCK1
SCHEMBL23088072 0.93 KCNK3 (0.45) KCNK3KCNH2MCHR1ROCK2ROCK1
SCHEMBL20601515 0.93 KCNK3 (0.45) KCNK3KCNH2MCHR1ROCK2ROCK1
SCHEMBL20618538 0.92 GPR119 (0.48) KCNK3KCNH2MCHR1PKM
SCHEMBL20618534 0.92 GPR119 (0.48) KCNK3KCNH2MCHR1PKM
SCHEMBL20601460 0.92 GPR119 (0.48) KCNK3KCNH2MCHR1PKM
SCHEMBL20601277 0.92 KCNK3 (0.43) KCNK3KCNH2MCHR1ROCK2ROCK1
SCHEMBL28355060 0.84 ITGB1 (0.43) ROCK2ROCK1ITGB1ITGA4
SCHEMBL20601329 0.84 MAPK1 (0.51) ROCK2ROCK1MAPK1PKMCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-18 US disclosed
US-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-18 US disclosed
EP-3645519-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-05-06 EP disclosed
CN-110770222-A Modulators of indoleamine2, 3-dioxygenase 葛兰素史克知识产权开发有限公司 2020-02-07 CN disclosed
WO-2019003142-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 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 (1 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-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 KCNK3 3113/4885KCNH2 4106/4885MCHR1 576/4885

“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.