SCHEMBL20601115

SCHEMBL20601115

Cc1c(F)cccc1OC(=O)N1CCC(C(CC(C)C)NC(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 1/20 0.41
PLD1 Q13393 1/20 0.41
CCR1 P32246 3/20 0.40
IDO1 P14902 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 2/20 0.39
GPR119 Q8TDV5 2/20 0.39
LMNA P02545 2/20 0.38
CTSL P07711 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
CHRM2 P08172 1/20 0.37

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
SCHEMBL20601089 0.93 CCR1 (0.40) PLD2PLD1CCR1IDO1KCNH2
SCHEMBL20601088 0.90 CCR1 (0.42) PLD2PLD1CCR1IDO1KCNH2
SCHEMBL20600901 0.89 HSD11B1 (0.41) PLD2PLD1CCR1IDO1KCNH2
SCHEMBL20600902 0.89 HSD11B1 (0.41) PLD2PLD1CCR1IDO1KCNH2
SCHEMBL20601053 0.89 CASP3 (0.40) PLD2PLD1CCR1IDO1KCNH2
SCHEMBL20600893 0.88 PLD2 (0.38) PLD2PLD1CCR1IDO1KCNH2
SCHEMBL20600894 0.88 PLD2 (0.38) PLD2PLD1CCR1IDO1KCNH2
SCHEMBL20601121 0.88 NPSR1 (0.38) PLD2PLD1CCR1IDO1KCNH2
SCHEMBL20601122 0.88 NPSR1 (0.38) PLD2PLD1CCR1IDO1KCNH2
SCHEMBL20601078 0.87 L3MBTL1 (0.41) PLD2PLD1CCR1MAPTTSHR

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-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

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 3628/4885CCR1 1565/4885
US-10927078-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 PLD2 3183/4885PLD1 3628/4885CCR1 1565/4885

“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.