SCHEMBL20600892

SCHEMBL20600892

Cc1cnccc1OC(=O)N1CCC(C(CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.49
CCR1 P32246 5/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C9 P11712 2/20 0.42
KCNH2 Q12809 2/20 0.42
SMYD3 Q9H7B4 1/20 0.41

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
SCHEMBL20601141 0.87 IDO1 (0.50) IDO1CCR1CYP3A4KDM4EALDH1A1
SCHEMBL20601136 0.84 IDO1 (0.49) IDO1CCR1CYP3A4KDM4EALDH1A1
SCHEMBL20600950 0.84 IDO1 (0.49) IDO1CCR1CYP3A4KDM4EALDH1A1
SCHEMBL20601124 0.83 ROCK2 (0.39) IDO1CCR1CYP3A4ALDH1A1CYP2C9
SCHEMBL20600915 0.82 IDO1 (0.47) IDO1CCR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL20601127 0.82 IDO1 (0.49) IDO1CCR1CYP3A4KDM4EALDH1A1
SCHEMBL28350995 0.82 CCR1 (0.54) IDO1CCR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL20600991 0.81 CCR1 (0.46) IDO1CCR1CYP3A4KDM4EALDH1A1
SCHEMBL20601003 0.81 CCR1 (0.46) IDO1CCR1CYP3A4KDM4EALDH1A1
SCHEMBL20601070 0.81 CCR1 (0.56) IDO1CCR1KDM4EALDH1A1SMN1; SMN2

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 1/4885CCR1 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.