SCHEMBL20601152

SCHEMBL20601152

COc1nccc(OC(=O)N2CCC(C(CC(C)C)NC(=O)c3ccc(F)cc3)CC2)c1F

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.50
KCNH2 Q12809 5/20 0.41
CYP2C9 P11712 2/20 0.41
NR1I2 O75469 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C19 P33261 1/20 0.41
CCR1 P32246 3/20 0.39
SMYD3 Q9H7B4 1/20 0.38
CYP3A4 P08684 3/20 0.37
CASP3 P42574 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
SCHEMBL20601051 0.92 IDO1 (0.49) IDO1KCNH2CYP2C9NR1I2CYP2C8
SCHEMBL20615642 0.92 IDO1 (0.49) IDO1KCNH2CYP2C9NR1I2CYP2C8
SCHEMBL20601069 0.91 IDO1 (0.42) IDO1KCNH2CYP2C9CCR1SMYD3
SCHEMBL20601058 0.90 IDO1 (0.41) IDO1KCNH2CYP2C9CCR1SMYD3
SCHEMBL20600948 0.88 IDO1 (0.40) IDO1KCNH2CYP2C9CCR1SMYD3
SCHEMBL20600998 0.87 IDO1 (0.42) IDO1KCNH2CYP2C9CCR1SMYD3
SCHEMBL20600877 0.85 IDO1 (0.59) IDO1KCNH2CYP2C9CCR1CYP3A4
SCHEMBL20600876 0.85 IDO1 (0.59) IDO1KCNH2CYP2C9CCR1CYP3A4
SCHEMBL20600885 0.85 IDO1 (0.41) IDO1KCNH2CYP2C9CCR1SMYD3
SCHEMBL20601124 0.84 ROCK2 (0.39) IDO1KCNH2CYP2C9CCR1SMYD3

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 IDO1 1/4885KCNH2 4106/4885CYP2C9 409/4885
US-10927078-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 IDO1 1/4885KCNH2 4106/4885CYP2C9 409/4885

“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.