SCHEMBL20601124

SCHEMBL20601124

CC(C)CC(NC(=O)c1ccc(F)cc1)C1CCN(C(=O)Oc2ccncc2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.39
ALDH1A1 P00352 2/20 0.39
IDO1 P14902 4/20 0.38
KCNH2 Q12809 3/20 0.38
CCR1 P32246 2/20 0.38
SMYD3 Q9H7B4 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PLD2 O14939 1/20 0.37
PLD1 Q13393 1/20 0.37
CTSL P07711 1/20 0.37
HPGD P15428 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL20600948 0.86 IDO1 (0.40) IDO1KCNH2CCR1SMYD3CYP3A4
SCHEMBL20601069 0.86 IDO1 (0.42) ALDH1A1IDO1KCNH2CCR1SMYD3
SCHEMBL20600998 0.85 IDO1 (0.42) ALDH1A1IDO1KCNH2CCR1SMYD3
SCHEMBL20601058 0.85 IDO1 (0.41) ALDH1A1IDO1KCNH2CCR1SMYD3
SCHEMBL20600885 0.85 IDO1 (0.41) ALDH1A1IDO1KCNH2CCR1SMYD3
SCHEMBL20601152 0.84 IDO1 (0.50) IDO1KCNH2CCR1SMYD3CYP3A4
SCHEMBL20600975 0.84 GPR119 (0.43) ALDH1A1IDO1KCNH2CCR1CYP3A4
SCHEMBL20600960 0.84 POLB (0.45) ALDH1A1IDO1KCNH2CCR1SMYD3
SCHEMBL20601115 0.84 PLD2 (0.41) ALDH1A1IDO1KCNH2CCR1PLD2
SCHEMBL20615642 0.83 IDO1 (0.49) IDO1KCNH2CCR1CYP2C9

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
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 ROCK2 1280/4885ALDH1A1 816/4885IDO1 1/4885
US-10927078-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 ROCK2 1280/4885ALDH1A1 816/4885IDO1 1/4885

“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.