SCHEMBL20601355

SCHEMBL20601355

COc1ccc([C@@H](N)CC2CCN(C(=O)O)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
ITGA2B P08514 1/20 0.45
ITGB5 P18084 1/20 0.45
CHRNA7 P36544 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
KCNH2 Q12809 4/20 0.38
NPY1R P25929 1/20 0.38
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
NNMT P40261 1/20 0.37
OPRD1 P41143 1/20 0.37
OXTR P30559 2/20 0.37
JAK2 O60674 1/20 0.36

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
SCHEMBL20601357 1.00 ITGB3 (0.45) ITGB3ITGAVITGA2BITGB5CHRNA7
Formic Acid SCHEMBL20601367 0.96 ITGB3 (0.43) ITGB3ITGAVITGA2BITGB5CHRNA7
Formic Acid SCHEMBL20601369 0.96 ITGB3 (0.43) ITGB3ITGAVITGA2BITGB5CHRNA7
SCHEMBL20601518 0.86 GPR119 (0.52) ALDH1A1PIK3CDPIK3CAGPR119
SCHEMBL20601517 0.86 GPR119 (0.52) ALDH1A1PIK3CDPIK3CAGPR119
SCHEMBL28354937 0.84 GPR119 (0.40) ITGB3ITGAVITGA2BITGB5CHRNA7
Formic Acid SCHEMBL20601489 0.83 GPR119 (0.49) ALDH1A1PIK3CDPIK3CAGPR119
SCHEMBL23088072 0.77 KCNK3 (0.45) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL20601515 0.77 KCNK3 (0.45) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL20601311 0.77 ITGB1 (0.47) ITGB3ITGAVITGA2BITGB5ITGB1

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
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 ITGB3 4503/4885ITGAV 4736/4885ITGA2B 4280/4885

“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.