SCHEMBL20601121

SCHEMBL20601121

COCCC[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)Oc2cccc(F)c2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
PLD2 O14939 1/20 0.37
PLD1 Q13393 1/20 0.37
CHRM2 P08172 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
CCR1 P32246 1/20 0.36
IDO1 P14902 2/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KCNH2 Q12809 1/20 0.35
CASP3 P42574 2/20 0.35

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
SCHEMBL20601122 1.00 NPSR1 (0.38) NPSR1PLD2PLD1CHRM2MAPT
SCHEMBL20600894 0.92 PLD2 (0.38) NPSR1PLD2PLD1CHRM2MAPT
SCHEMBL20600893 0.92 PLD2 (0.38) NPSR1PLD2PLD1CHRM2MAPT
SCHEMBL28347478 0.90 CCKBR (0.42) CHRM2MAPTTSHRL3MBTL1LMNA
SCHEMBL22023439 0.90 CCKBR (0.42) CHRM2MAPTTSHRL3MBTL1LMNA
SCHEMBL20601115 0.88 PLD2 (0.41) NPSR1PLD2PLD1CHRM2MAPT
SCHEMBL20601084 0.85 IDO1 (0.41) IDO1ALDH1A1
SCHEMBL20601087 0.85 IDO1 (0.41) IDO1ALDH1A1
SCHEMBL20601078 0.84 L3MBTL1 (0.41) NPSR1PLD2PLD1MAPTTSHR
SCHEMBL20601556 0.82 ALDH1A1 (0.43) CCR1IDO1ALDH1A1HPGDKCNH2

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 6 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
CN-110709391-A Modulators of indoleamine2, 3-dioxygenase 葛兰素史克知识产权开发有限公司 2020-01-17 CN disclosed
WO-2019003141-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 WO 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 NPSR1 924/4885PLD2 3183/4885PLD1 3628/4885
US-10927078-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 NPSR1 924/4885PLD2 3183/4885PLD1 3628/4885

“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.