SCHEMBL26201345

SCHEMBL26201345

CC[C@H]1CNCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR2A P28223 5/20 0.44
HTR2C P28335 4/20 0.43
HTR2B P41595 4/20 0.43
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
TAOK1 Q7L7X3 1/20 0.38
TAOK3 Q9H2K8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 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
SCHEMBL17121746 1.00 MEN1 (0.51) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL17120414 1.00 MEN1 (0.51) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL19158572 0.86 MEN1 (0.49) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL11846170 0.83 MEN1 (0.46) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL175085 0.82 HTR2C (0.63) HTR2AHTR2CHTR2B
SCHEMBL1573628 0.82 CYP2D6 (0.45) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL2264568 0.81 MEN1 (0.51) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL29570896 0.81 MEN1 (0.51) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL24469485 0.81 MEN1 (0.47) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL23308861 0.81 MEN1 (0.47) MEN1CYP3A4CYP2D6KMT2AHTR2A

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-20230271938-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CAPELLA THERAPEUTICS, INC. 2023-08-31 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-20230271938-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CHKB, CHKA, CHUK MEN1 3833/4885CYP3A4 636/4885CYP2D6 1914/4885

“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.