SCHEMBL20601003

SCHEMBL20601003

Cc1ncnc(C)c1OC(=O)N1CCC([C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
IDO1 P14902 12/20 0.45
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 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
SCHEMBL20600991 1.00 CCR1 (0.46) CCR1KDM4EALDH1A1SMN1; SMN2IDO1
SCHEMBL20600915 0.90 IDO1 (0.47) CCR1KDM4EALDH1A1SMN1; SMN2IDO1
SCHEMBL20601141 0.85 IDO1 (0.50) CCR1KDM4EALDH1A1SMN1; SMN2IDO1
SCHEMBL20600950 0.85 IDO1 (0.49) CCR1KDM4EALDH1A1SMN1; SMN2IDO1
SCHEMBL20601136 0.85 IDO1 (0.49) CCR1KDM4EALDH1A1SMN1; SMN2IDO1
SCHEMBL28350995 0.84 CCR1 (0.54) CCR1KDM4EALDH1A1SMN1; SMN2IDO1
SCHEMBL20601082 0.84 IDO1 (0.47) CCR1IDO1CYP3A4CYP2D6
SCHEMBL20601013 0.83 CCR1 (0.56) CCR1KDM4EALDH1A1SMN1; SMN2IDO1
SCHEMBL20601011 0.83 CCR1 (0.56) CCR1KDM4EALDH1A1SMN1; SMN2IDO1
SCHEMBL20601070 0.83 CCR1 (0.56) CCR1KDM4EALDH1A1SMN1; SMN2IDO1

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 7 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-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
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 CCR1 1565/4885KDM4E 657/4885ALDH1A1 816/4885
US-10927078-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 CCR1 1565/4885KDM4E 657/4885ALDH1A1 816/4885

“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.