SCHEMBL24809678

SCHEMBL24809678

CC(C)c1cccnc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.48
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 1/20 0.44
RAD52 P43351 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACVR1 Q04771 1/20 0.41
CHRM4 P08173 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
CXCR4 P61073 1/20 0.39
KMT2A Q03164 1/20 0.39
CHIA Q9BZP6 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
SCHEMBL19107154 0.86 HRH4 (0.50) ELANEHRH4CHIA
SCHEMBL24809669 0.86 IRAK4 (0.43) ELANECHRM4CXCR4KMT2A
SCHEMBL29945085 0.82 ELANE (0.53) ELANEKCNH2KDM4ERAD52L3MBTL1
SCHEMBL29904618 0.81 KCNH2 (0.52) ELANEKCNH2KDM4ERAD52L3MBTL1
SCHEMBL26790144 0.77 CYP1A2 (0.45) KDM4EKMT2A
SCHEMBL10094245 0.77 CYP1A2 (0.49) KDM4EL3MBTL1KMT2A
SCHEMBL2609324 0.75 CYP1A2 (0.51) KDM4EL3MBTL1KMT2A
SCHEMBL11951657 0.75 PDE10A (0.42) KMT2A
SCHEMBL10094290 0.75 PDE10A (0.42) KMT2A
SCHEMBL10094284 0.75 PDE10A (0.42) KMT2A

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 1 patent. 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

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 ELANE 927/4885KCNH2 1689/4885KDM4E 701/4885

“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.