SCHEMBL20601050

SCHEMBL20601050

COc1ncccc1OC(=O)N1CCC(C(NC(=O)c2ccc(Cl)cc2)c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.50
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CCR1 P32246 7/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
C3AR1 Q16581 1/20 0.40
WDR91 A4D1P6 1/20 0.40
KCNH2 Q12809 1/20 0.39
MGLL Q99685 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL20601048 1.00 IDO1 (0.50) IDO1MAPK1MEN1KMT2AALDH1A1
SCHEMBL20600914 0.90 CCR1 (0.42) IDO1MAPK1MEN1KMT2AALDH1A1
SCHEMBL20601118 0.90 MGLL (0.42) IDO1CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL20600913 0.90 CCR1 (0.42) IDO1MAPK1MEN1KMT2AALDH1A1
SCHEMBL20601120 0.90 MGLL (0.42) IDO1CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL20616363 0.88 IDO1 (0.53) IDO1ALDH1A1CCR1CYP2C9CYP2C19
SCHEMBL20600876 0.85 IDO1 (0.59) IDO1ALDH1A1CCR1CYP3A4CYP2C9
SCHEMBL20600877 0.85 IDO1 (0.59) IDO1ALDH1A1CCR1CYP3A4CYP2C9
SCHEMBL20600984 0.84 IDO1 (0.47) IDO1MAPK1MEN1KMT2AALDH1A1
SCHEMBL20600982 0.84 IDO1 (0.47) IDO1MAPK1MEN1KMT2AALDH1A1

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 1/4885MAPK1 2307/4885MEN1 3210/4885
US-10927078-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 IDO1 1/4885MAPK1 2307/4885MEN1 3210/4885

“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.