SCHEMBL21146341

SCHEMBL21146341

CC(C)(NC(=O)C1CCC(c2ccnc3ccccc23)CC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 10/20 0.47
IDO1 P14902 3/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
TACR3 P29371 1/20 0.40
SLC22A12 Q96S37 2/20 0.40
CAMKK1 Q8N5S9 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
SSTR1 P30872 1/20 0.38

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
SCHEMBL22424970 1.00 SSTR4 (0.47) SSTR4IDO1DRD2DRD3TACR3
SCHEMBL21146060 0.79 CAMKK1 (0.48) IDO1DRD2DRD3SLC22A12CAMKK1
SCHEMBL21289832 0.79 CAMKK1 (0.48) IDO1DRD2DRD3SLC22A12CAMKK1
SCHEMBL28431268 0.79 CAMKK1 (0.48) IDO1DRD2DRD3SLC22A12CAMKK1
SCHEMBL22424992 0.79 CAMKK1 (0.48) IDO1DRD2DRD3SLC22A12CAMKK1
SCHEMBL8097215 0.79 SSTR4 (0.60) SSTR4SMN1; SMN2MAPT
SCHEMBL21146596 0.78 ALDH1A1 (0.56) DRD2DRD3MAPT
SCHEMBL21146595 0.78 ALDH1A1 (0.56) DRD2DRD3MAPT
SCHEMBL21052508 0.78 IDO1 (0.43) SSTR4IDO1DRD2DRD3SLC22A12
SCHEMBL21052509 0.78 IDO1 (0.43) SSTR4IDO1DRD2DRD3SLC22A12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200291008-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-09-17 US disclosed
WO-2019111107-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-13 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 (1 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-20200291008-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 SSTR4 4242/4885IDO1 1/4885DRD2 3968/4885

“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.