SCHEMBL20601088

SCHEMBL20601088

CC(C)CC(NC(=O)c1ccc(F)cc1)C1CCN(C(=O)Oc2cccc(F)c2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.42
PLD2 O14939 2/20 0.41
PLD1 Q13393 2/20 0.41
IDO1 P14902 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
MGLL Q99685 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C9 P11712 1/20 0.37
KCNH2 Q12809 1/20 0.37
CASP3 P42574 1/20 0.37
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
SCHEMBL20601115 0.90 PLD2 (0.41) CCR1PLD2PLD1IDO1L3MBTL1
SCHEMBL20600902 0.88 HSD11B1 (0.41) CCR1PLD2PLD1IDO1L3MBTL1
SCHEMBL20600901 0.88 HSD11B1 (0.41) CCR1PLD2PLD1IDO1L3MBTL1
SCHEMBL20600969 0.87 MGLL (0.43) CCR1PLD2PLD1L3MBTL1GPR119
SCHEMBL20601089 0.86 CCR1 (0.40) CCR1PLD2PLD1IDO1L3MBTL1
SCHEMBL20601053 0.86 CASP3 (0.40) CCR1PLD2PLD1IDO1L3MBTL1
SCHEMBL20600960 0.85 POLB (0.45) CCR1IDO1SMYD3ALDH1A1HPGD
SCHEMBL20600920 0.84 CCR1 (0.51) CCR1IDO1MGLLALDH1A1KCNH2
SCHEMBL20600987 0.84 GAA (0.48) CCR1MGLLCASP3
SCHEMBL20600924 0.84 GAA (0.48) CCR1MGLLCASP3

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 8 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-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
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 CCR1 1565/4885PLD2 3183/4885PLD1 3628/4885
US-10927078-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 CCR1 1565/4885PLD2 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.