SCHEMBL20600896

SCHEMBL20600896

CC(C)CC(NC(=O)c1ccc(F)cc1)C1CCN(C(=O)Oc2cncc(F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
IDO1 P14902 5/20 0.43
GPR119 Q8TDV5 2/20 0.42
POLB P06746 1/20 0.40
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTR1F P30939 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
KCNH2 Q12809 3/20 0.39
CCR1 P32246 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 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
SCHEMBL20600960 0.89 POLB (0.45) IDO1POLBALDH1A1SMYD3KCNH2
SCHEMBL20600987 0.86 GAA (0.48) FAAHMGLLCCR1CYP3A4
SCHEMBL20600927 0.86 GAA (0.48) FAAHMGLLCCR1CYP3A4
SCHEMBL20600924 0.86 GAA (0.48) FAAHMGLLCCR1CYP3A4
SCHEMBL20600938 0.85 IDO1 (0.42) FAAHIDO1POLBHTR1FSMYD3
SCHEMBL20600920 0.84 CCR1 (0.51) IDO1POLBMGLLALDH1A1KCNH2
SCHEMBL20600965 0.84 HSD11B1 (0.47) FAAHMGLL
SCHEMBL20601124 0.83 ROCK2 (0.39) IDO1POLBALDH1A1SMYD3KCNH2
SCHEMBL20601044 0.80 GPR119 (0.51) GPR119POLBALDH1A1MAPK1L3MBTL1
SCHEMBL20600940 0.79 CCR1 (0.48) POLBALDH1A1SMYD3CCR1LMNA

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 FAAH 913/4885IDO1 1/4885GPR119 41/4885
US-10927078-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 FAAH 913/4885IDO1 1/4885GPR119 41/4885

“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.