SCHEMBL17656944

SCHEMBL17656944

COC(=O)C1c2ccc(OC)nc2CCC1O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
DRD1 P21728 1/20 0.40
DRD3 P35462 1/20 0.36
MTNR1A P48039 5/20 0.36
MTNR1B P49286 5/20 0.36
HTR2C P28335 4/20 0.36
RORC P51449 9/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NNMT P40261 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
SCHEMBL17660751 0.88 DRD2 (0.40) DRD2DRD1DRD3MTNR1AMTNR1B
SCHEMBL31137696 0.76 DRD2 (0.43) DRD2DRD1DRD3MTNR1AMTNR1B
SCHEMBL17656945 0.75 RORC (0.31) DRD2DRD1RORC
SCHEMBL924440 0.75 RORC (0.37) DRD2DRD1MTNR1AMTNR1BHTR2C
SCHEMBL31397659 0.75 RORC (0.37) DRD2DRD1MTNR1AMTNR1BHTR2C
SCHEMBL28447625 0.71 DRD2 (0.41) DRD2DRD1DRD3MTNR1AMTNR1B
SCHEMBL1769807 0.70 ALDH1A1 (0.39) DRD2DRD1DRD3MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL31136315 0.70 DRD2 (0.40) DRD2DRD1DRD3MTNR1AMTNR1B
SCHEMBL12891719 0.66 DRD2 (0.40) DRD2DRD1DRD3HTR2CDDB1
SCHEMBL12891720 0.66 DRD2 (0.40) DRD2DRD1DRD3HTR2CDDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160096808-A1 METHODS OF RESOLVING RACEMIC MIXTURE TO OBTAIN (-)-HUPERZINE A AMPHASTAR NANJING PHARMACEUTICALS INC. (CN) 2016-04-07 US disclosed
WO-2016054286-A1 METHODS OF RESOLVING RACEMIC MIXTURE TO OBTAIN (-)-HUPERZINE A AMPHASTAR PHARMACEUTICALS, INC. (US) 2016-04-07 WO disclosed
US-20160096808-A1 METHODS OF RESOLVING RACEMIC MIXTURE TO OBTAIN (-)-HUPERZINE A AMPHASTAR NANJING PHARMACEUTICALS INC. (CN) 2016-04-07 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-20160096808-A1 METHODS OF RESOLVING RACEMIC MIXTURE TO OBTAIN (-)-HUPERZINE A ADH1C, GALE, UGT8 DRD2 1155/4885DRD1 1140/4885DRD3 1447/4885

“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.