SCHEMBL13649226

SCHEMBL13649226

COc1ccc2c(n1)CCC1(C2)OCCO1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
DRD3 P35462 1/20 0.39
DRD1 P21728 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HTR2C P28335 2/20 0.31
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
PDE10A Q9Y233 2/20 0.31
AVPR1A P37288 1/20 0.30
POLB P06746 1/20 0.30
P2RX3 P56373 1/20 0.30

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
SCHEMBL13649214 0.80 CYP2C19 (0.34) KDM4EMAPTAVPR1A
SCHEMBL30968509 0.77
SCHEMBL13213504 0.77 DRD2 (0.34) DRD2DRD3
SCHEMBL16800667 0.77
SCHEMBL30968481 0.77 DRD2 (0.30) DRD2DRD3
SCHEMBL8997671 0.71 HTR2C (0.33) HTR2CMTNR1AMTNR1B
SCHEMBL20231828 0.70 ADRA2A (0.50) DRD2DRD3DRD1POLB
SCHEMBL5523900 0.70 ADRA2A (0.50) DRD2DRD3DRD1POLB
SCHEMBL16799333 0.70 DRD2 (0.36) DRD2DRD3DRD1MAPT
SCHEMBL5118608 0.69 AVPR1A (0.33) DRD2DRD3KDM4EMAPTAVPR1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232138-B Huperzine A intermediate and nontoxic synthesis process of raw materials thereof 杭州师范大学 2024-01-30 CN disclosed
CN-115232138-A Huperzine A intermediate and nontoxic synthesis process of raw materials thereof 杭州师范大学 2022-10-25 CN disclosed
WO-2015083130-A1 FUSED PYRIDINE AND PYRIMIDINE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-11 WO disclosed
WO-2009120774-A2 METHOD OF PREPARING HUPERZINE A AND DERIVATIVES THEREOF DEBIOPHARM S.A. (CH) 2009-10-01 WO disclosed
US-20090247754-A1 METHOD OF PREPARING HUPERZINE A AND DERIVATIVES THEREOF DEBIOPHARM S.A. 2009-10-01 US disclosed
US-20090247754-A1 METHOD OF PREPARING HUPERZINE A AND DERIVATIVES THEREOF DEBIOPHARM S.A. 2009-10-01 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-20090247754-A1 METHOD OF PREPARING HUPERZINE A AND DERIVATIVES THEREOF DHPS, CYP4Z1, CYP3A5 DRD2 1299/4885DRD3 1648/4885DRD1 622/4885

“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.