SCHEMBL20600982

SCHEMBL20600982

Cc1nccc(OC(=O)N2CCC([C@H](NC(=O)c3ccc(Cl)cc3)c3ccccc3)CC2)c1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.47
CCR1 P32246 9/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
WDR91 A4D1P6 1/20 0.41
KCNH2 Q12809 1/20 0.40
MGLL Q99685 1/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
AKT1 P31749 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
SCHEMBL20600984 1.00 IDO1 (0.47) IDO1CCR1CYP3A4CYP1A2CYP2D6
SCHEMBL20600914 0.91 CCR1 (0.42) IDO1CCR1CYP3A4CYP1A2CYP2D6
SCHEMBL20600913 0.91 CCR1 (0.42) IDO1CCR1CYP3A4CYP1A2CYP2D6
SCHEMBL20601091 0.85 MGLL (0.39) CYP3A4ALDH1A1KDM4ESMN1; SMN2MGLL
SCHEMBL20601048 0.84 IDO1 (0.50) IDO1CCR1CYP3A4CYP1A2CYP2D6
SCHEMBL20601050 0.84 IDO1 (0.50) IDO1CCR1CYP3A4CYP1A2CYP2D6
SCHEMBL20601118 0.84 MGLL (0.42) IDO1CCR1CYP3A4CYP1A2CYP2D6
SCHEMBL20601120 0.84 MGLL (0.42) IDO1CCR1CYP3A4CYP1A2CYP2D6
SCHEMBL20601141 0.83 IDO1 (0.50) IDO1CCR1CYP3A4ALDH1A1KDM4E
SCHEMBL28347730 0.80 KMT2A (0.53) CCR1ALDH1A1KDM4ESMN1; SMN2WDR91

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 IDO1 1/4885CCR1 1565/4885CYP3A4 328/4885
US-10927078-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 IDO1 1/4885CCR1 1565/4885CYP3A4 328/4885

“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.