SCHEMBL18233545

SCHEMBL18233545

CC(C)c1ccc(F)c(C#CC2CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.38
▸ CTSD P07339 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ BACE1 P56817 2/20 0.38
▸ BACE2 Q9Y5Z0 2/20 0.38
▸ PTPN11 Q06124 1/20 0.33
▸ TRPV3 Q8NET8 1/20 0.32
▸ MGLL Q99685 2/20 0.32
▸ FAAH O00519 1/20 0.32
▸ PGK1 P00558 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TRPA1 O75762 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ CACNA1C Q13936 1/20 0.30

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
SCHEMBL20079214 0.78 BACE1 (0.38) RENCTSDCYP3A4BACE1BACE2
SCHEMBL18233547 0.78 LMNA (0.35) CYP3A4BACE1LMNATRPA1PTGS1
SCHEMBL31357853 0.75 PTPN11 (0.41) RENCTSDCYP3A4BACE1BACE2
SCHEMBL6116621 0.74 PDE2A (0.33) —
SCHEMBL18233548 0.73 LMNA (0.32) LMNATRPA1PTGS1CACNA1C
SCHEMBL879123 0.72 PGR (0.43) CYP3A4TRPV3LMNA
SCHEMBL12963792 0.72 LMNA (0.36) MGLLFAAHLMNATRPA1PTGS1
SCHEMBL765026 0.70 CHRNB2 (0.36) MGLLFAAHLMNATRPA1PTGS1
SCHEMBL6117095 0.69 PDE2A (0.32) —
SCHEMBL6116340 0.69 PDE2A (0.32) —

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-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 — — US 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 REN 914/4885CTSD 1789/4885CYP3A4 245/4885

“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.

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