SCHEMBL1709110

SCHEMBL1709110

CN1CCCc2ccc(O)c(-c3c(O)ccc4c3N=CCC4)c21

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 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
SCHEMBL1282300 0.83 DRD1 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1699767 0.76 DRD2 (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10067643 0.69
SCHEMBL24308956 0.69 ALDH1A1 (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL11837962 0.66 RAB9A (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10206109 0.62 BCL2L1 (0.39) DRD2DRD1DRD5DRD3
SCHEMBL1709095 0.60 HSD17B10 (0.35) DRD2DRD1
SCHEMBL1699765 0.60 GPR84 (0.38)
SCHEMBL11843579 0.59 HTR2C (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL18329550 0.58 L3MBTL1 (0.40) DRD2DRD1DRD4DRD5DRD3

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-20120088916-A1 OCTAHYDRO BIQUINOLINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-04-12 US disclosed
WO-2010132029-A1 OCTAHYDRO BIQUINOLINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-11-18 WO 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-20120088916-A1 OCTAHYDRO BIQUINOLINE COMPOUND CYP2S1, HCRTR2, CYP2B6 DRD2 225/4885DRD1 406/4885DRD4 282/4885

“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.