SCHEMBL26424747

SCHEMBL26424747

CN1CCC(C(O)c2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.43
HTR2C P28335 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KCNH2 Q12809 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
CACNA1F O60840 1/20 0.43
GMNN O75496 1/20 0.43
USP2 O75604 1/20 0.43
EGFR P00533 1/20 0.43
LMNA P02545 1/20 0.43
FYN P06241 1/20 0.43
CHRM2 P08172 1/20 0.43
ABCB1 P08183 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL26424750 0.87 HSD11B1 (0.41) HTR2AHTR2CCYP1A2CYP3A4CYP2D6
SCHEMBL23962815 0.83 HTR2A (0.41) HTR2AHTR2CCYP1A2CYP3A4CYP2D6
SCHEMBL23962430 0.83 SLC6A3 (0.52) HTR2AHTR2CCYP1A2CYP3A4CYP2D6
SCHEMBL4192965 0.81 CCR5 (0.44) HTR2AHTR2CCYP1A2CYP3A4CYP2D6
SCHEMBL18253219 0.80 DHODH (0.42) HTR2AHTR2CCYP1A2CYP3A4CYP2D6
SCHEMBL26424742 0.77 DHODH (0.47) HTR2AHTR2CCYP1A2CYP3A4CYP2D6
SCHEMBL18590358 0.75 HRH1 (0.72) HTR2AHTR2CCYP1A2CYP3A4CYP2D6
SCHEMBL17023785 0.75 HRH1 (0.72) HTR2AHTR2CCYP1A2CYP3A4CYP2D6
SCHEMBL22957917 0.73 HTR2A (0.51) HTR2AHTR2CCYP2D6MEN1HTR6
SCHEMBL26426727 0.72 LMNA (0.38) CYP1A2SLC6A3LMNASLC6A2SLC6A4

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-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 US disclosed
US-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 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-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, HK1 HTR2A 4039/4885HTR2C 4063/4885CYP1A2 1808/4885

“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.