SCHEMBL18233684

SCHEMBL18233684

CC(C)(C)OC(=O)NCCCN1CCCC(F)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.47
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
EPHX1 P07099 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
CNR2 P34972 1/20 0.40
CACNA1H O95180 1/20 0.40

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
SCHEMBL24619896 0.85 DRD2 (0.54) DRD2MEN1GAAKMT2ASIGMAR1
SCHEMBL18233674 0.85 CACNA1H (0.49) DRD2MEN1GAAKMT2ASIGMAR1
SCHEMBL22754469 0.85 CACNA1H (0.49) DRD2MEN1GAAKMT2ASIGMAR1
SCHEMBL18233672 0.85 CACNA1H (0.49) DRD2MEN1GAAKMT2ASIGMAR1
SCHEMBL26128032 0.84 MEN1 (0.47) DRD2CHRM2CHRM4CHRM5CHRM1
SCHEMBL9127008 0.81 DRD2 (0.60) DRD2MEN1GAAKMT2ASIGMAR1
SCHEMBL4743239 0.81 ACHE (0.58) DRD2CHRM2CHRM4CHRM5CHRM1
Iodide SCHEMBL15145961 0.81 DRD2 (0.57) DRD2CHRM2CHRM4CHRM5CHRM1
SCHEMBL25362872 0.81 DRD2 (0.48) DRD2CHRM2CHRM4CHRM5CHRM1
SCHEMBL18226717 0.80 BDKRB1 (0.46) MEN1GAAKMT2ATDP1EPHX1

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
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
WO-2016186967-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES, INC. (US) 2016-11-24 WO disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US 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-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT DRD2 1245/4885CHRM2 208/4885CHRM4 911/4885

“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.