SCHEMBL25595993

SCHEMBL25595993

CC(C)(C)C1CCCCC2CCCCN2CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.39
SIGMAR1 Q99720 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL3 Q96JM7 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SLC18A3 Q16572 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL25598759 0.98 SIGMAR1 (0.39) HTR6SIGMAR1MEN1KMT2ASLC18A3
SCHEMBL25596009 0.98 SIGMAR1 (0.39) HTR6SIGMAR1MEN1KMT2ASLC18A3
SCHEMBL13154267 0.94 SIGMAR1 (0.40) HTR6SIGMAR1MEN1KMT2ASLC18A3
SCHEMBL25672740 0.92 MEN1 (0.36) HTR6SIGMAR1MEN1KMT2AL3MBTL3
SCHEMBL24626947 0.91 SIGMAR1 (0.42) SIGMAR1MEN1KMT2ASLC18A3
SCHEMBL25595989 0.91 SIGMAR1 (0.39) HTR6SIGMAR1MEN1KMT2AL3MBTL3
SCHEMBL18133869 0.89 MEN1 (0.39) SIGMAR1MEN1KMT2ASLC18A3CYP2D6
SCHEMBL13069405 0.88 MEN1 (0.43) SIGMAR1MEN1KMT2ACYP2D6CYP2C19
SCHEMBL2690030 0.86 HTR6 (0.38) HTR6SIGMAR1MEN1KMT2ASLC18A3
SCHEMBL10433619 0.85 MEN1 (0.46) MEN1KMT2AL3MBTL3L3MBTL1CYP2D6

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-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 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-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B HTR6 915/4885SIGMAR1 3314/4885MEN1 3963/4885

“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.