SCHEMBL20601065

SCHEMBL20601065

N[C@H](c1ccccc1)C1CCN(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
OPRD1 P41143 2/20 0.44
AKT2 P31751 1/20 0.44
CHRM3 P20309 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.42
DPP4 P27487 2/20 0.41
DPP7 Q9UHL4 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL450555 1.00 TDP1 (0.46) TDP1OPRD1AKT2CHRM3CYP3A4
SCHEMBL450554 1.00 TDP1 (0.46) TDP1OPRD1AKT2CHRM3CYP3A4
SCHEMBL21848128 0.90 TDP1 (0.43) TDP1OPRD1AKT2CHRM3CYP3A4
SCHEMBL21848129 0.90 TDP1 (0.43) TDP1OPRD1AKT2CHRM3CYP3A4
SCHEMBL4072569 0.86 OPRD1 (0.46) OPRD1AKT2DPP4DPP7
SCHEMBL4566750 0.85 HTR2A (0.55) TDP1CHRM3CYP3A4CYP1A2CYP2D6
SCHEMBL29993718 0.80 KDM4E (0.44) TDP1CHRM3TSHRALDH1A1KDM4E
SCHEMBL20615705 0.80 GPR119 (0.57) MAPK1ALDH1A1DPP4KDM4E
SCHEMBL2553057 0.80 GPR119 (0.57) MAPK1ALDH1A1DPP4KDM4E
SCHEMBL16225195 0.80 MEN1 (0.40) OPRD1TSHRALDH1A1DPP4DPP7

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-10927078-B2 Modulators of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-02-23 US disclosed
US-20200165201-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-05-28 US disclosed
EP-3645520-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-05-06 EP disclosed
WO-2019003141-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 (2 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-20200165201-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 TDP1 1918/4885OPRD1 648/4885AKT2 1896/4885
US-10927078-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 TDP1 1918/4885OPRD1 648/4885AKT2 1896/4885

“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.