SCHEMBL20600987

SCHEMBL20600987

CC(C)C[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)Oc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.47
CCR1 P32246 3/20 0.47
MGLL Q99685 2/20 0.44
CYP2D6 P10635 1/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.43
NPY2R P49146 1/20 0.42
FAAH O00519 1/20 0.42
CASP3 P42574 1/20 0.41
CTSL P07711 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
SCHEMBL20600924 1.00 GAA (0.48) GAAALOX15CCR1MGLLCYP2D6
SCHEMBL20600927 1.00 GAA (0.48) GAAALOX15CCR1MGLLCYP2D6
SCHEMBL20600960 0.95 POLB (0.45) CCR1TSHRCTSL
SCHEMBL20600887 0.93 GAA (0.53) GAAALOX15CCR1MGLLCYP2D6
SCHEMBL20600886 0.93 GAA (0.53) GAAALOX15CCR1MGLLCYP2D6
SCHEMBL20601106 0.93 GAA (0.53) GAAALOX15CCR1MGLLCYP2D6
SCHEMBL20600920 0.90 CCR1 (0.51) CCR1MGLLSMN1; SMN2CASP3
SCHEMBL20601060 0.90 GAA (0.46) GAAALOX15CCR1MGLLCYP2D6
SCHEMBL20601011 0.90 CCR1 (0.56) GAACCR1MGLLSMN1; SMN2
SCHEMBL20601070 0.90 CCR1 (0.56) GAACCR1MGLLSMN1; 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 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 GAA 462/4885ALOX15 338/4885CCR1 1565/4885
US-10927078-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 GAA 462/4885ALOX15 338/4885CCR1 1565/4885

“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.