SCHEMBL26326556

SCHEMBL26326556

COc1cc2c(cc1C)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 19/20 0.85
DRD2 P14416 14/20 0.85
DRD3 P35462 12/20 0.85
DRD5 P21918 5/20 0.85
F3 P13726 3/20 0.85
HTR1A P08908 3/20 0.85
DRD4 P21917 3/20 0.84
SIGMAR1 Q99720 2/20 0.84
ADRA1D P25100 1/20 0.80
ADRA1A P35348 1/20 0.80
ADRA1B P35368 1/20 0.80
HTR2A P28223 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
ALOX15 P16050 1/20 0.69
CYP2C19 P33261 1/20 0.69
HIF1A Q16665 1/20 0.69
HSD17B10 Q99714 1/20 0.69
KDM4E B2RXH2 1/20 0.69

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
SCHEMBL12630238 0.92 DRD1 (0.79) DRD1DRD2DRD3DRD5F3
Corydalmine SCHEMBL12667453 0.92 DRD1 (1.00) DRD1DRD2DRD3DRD5F3
Corydalmine SCHEMBL21192512 0.92 DRD1 (1.00) DRD1DRD2DRD3DRD5F3
Corydalmine SCHEMBL29243055 0.91 DRD1 (0.98) DRD1DRD2DRD3DRD5F3
Stepholidine SCHEMBL10001965 0.91 DRD1 (1.00) DRD1DRD2DRD3DRD5F3
Stepholidine SCHEMBL460434 0.91 DRD1 (1.00) DRD1DRD2DRD3DRD5F3
Stepholidine SCHEMBL29943869 0.91 DRD1 (1.00) DRD1DRD2DRD3DRD5F3
Stepholidine SCHEMBL10001966 0.91 DRD1 (1.00) DRD1DRD2DRD3DRD5F3
Stepholidine SCHEMBL29414100 0.91 DRD1 (1.00) DRD1DRD2DRD3DRD5F3
SCHEMBL20759563 0.90 DRD1 (0.84) DRD1DRD2DRD3DRD5F3

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-11731965-B2 Tetrahydroprotoberberine compound, preparation method therefor and uses thereof, and pharmaceutical composition SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-08-22 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-11731965-B2 Tetrahydroprotoberberine compound, preparation method therefor and uses thereof, and pharmaceutical composition NOTUM, BHMT, CYP4F11 DRD1 448/4885DRD2 682/4885DRD3 834/4885

“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.