SCHEMBL18233679

SCHEMBL18233679

CC(C)(C)OC(=O)NCCN1CC(F)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.49
DRD2 P14416 8/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
EPHX1 P07099 1/20 0.44
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 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
SCHEMBL22754469 0.90 CACNA1H (0.49) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL18233672 0.90 CACNA1H (0.49) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL18233674 0.90 CACNA1H (0.49) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL31421588 0.86 CACNA1H (0.50) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL24690634 0.85 CACNA1H (0.47) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL26003617 0.83 CACNA1H (0.51) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL24951480 0.82 CACNA1H (0.47) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL24134144 0.82 CACNA1H (0.47) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL31301242 0.82 DRD2 (0.63) CACNA1HDRD2MEN1GAAKMT2A
SCHEMBL31420582 0.81 CACNA1H (0.46) CACNA1HDRD2MEN1GAAKMT2A

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
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
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 CACNA1H 3110/4885DRD2 1245/4885MEN1 1318/4885

“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.