SCHEMBL24809389

SCHEMBL24809389

CC(C)CCCCNC(=O)n1cnc(-c2cccnc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.46
CYP2E1 P05181 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2B6 P20813 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP3A4 P08684 2/20 0.46
ASAH1 Q13510 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CYP2D6 P10635 1/20 0.40
ABL1 P00519 2/20 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
SCHEMBL29817754 1.00 CYP2A6 (0.46) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL24810724 0.97 CYP2A6 (0.47) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL29817761 0.97 CYP2A6 (0.47) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL29817619 0.92 CYP2A6 (0.49) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL24810535 0.92 CYP2A6 (0.49) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL24810738 0.85 CYP2A6 (0.51) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL29817412 0.85 CYP2A6 (0.51) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL24811026 0.83 CYP2A6 (0.47) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL29817606 0.83 CYP2A6 (0.47) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL24811035 0.83 AGTR2 (0.45) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19

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-20220411388-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-29 US disclosed
CN-114787135-A Substituted imidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN 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-20220411388-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, CLN6 CYP2A6 2757/4885CYP2E1 2572/4885CYP2C9 1421/4885

“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.