SCHEMBL20600893

SCHEMBL20600893

Cc1c(F)cccc1OC(=O)N1CCC([C@@H](CCCO)NC(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 1/20 0.38
PLD1 Q13393 1/20 0.38
CHRM2 P08172 1/20 0.38
IDO1 P14902 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.37
CCR1 P32246 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CASP3 P42574 1/20 0.36
CHRM1 P11229 1/20 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
SCHEMBL20600894 1.00 PLD2 (0.38) PLD2PLD1CHRM2IDO1KCNH2
SCHEMBL20601121 0.92 NPSR1 (0.38) PLD2PLD1CHRM2IDO1KCNH2
SCHEMBL20601122 0.92 NPSR1 (0.38) PLD2PLD1CHRM2IDO1KCNH2
SCHEMBL20601115 0.88 PLD2 (0.41) PLD2PLD1CHRM2IDO1KCNH2
SCHEMBL22023439 0.88 CCKBR (0.42) CHRM2MAPTTSHRL3MBTL1LMNA
SCHEMBL28347478 0.88 CCKBR (0.42) CHRM2MAPTTSHRL3MBTL1LMNA
SCHEMBL20601078 0.84 L3MBTL1 (0.41) PLD2PLD1MAPTTSHRRAB9A
SCHEMBL20601089 0.81 CCR1 (0.40) PLD2PLD1CHRM2IDO1KCNH2
SCHEMBL20600957 0.80 ALDH1A1 (0.42) KCNH2RAB9ACCR1ALDH1A1HPGD
SCHEMBL20600959 0.80 ALDH1A1 (0.42) KCNH2RAB9ACCR1ALDH1A1HPGD

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 PLD2 3183/4885PLD1 3628/4885CHRM2 454/4885
US-10927078-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 PLD2 3183/4885PLD1 3628/4885CHRM2 454/4885

“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.