SCHEMBL1699767

SCHEMBL1699767

Cc1ccc2c(c1-c1c(O)ccc3c1N(C)CCC3)N(C)CCC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.40
DRD1 P21728 6/20 0.40
DRD3 P35462 5/20 0.40
CYP1A2 P05177 1/20 0.36
ALOX12 P18054 1/20 0.36
DRD5 P21918 5/20 0.35
DRD4 P21917 4/20 0.35
INMT O95050 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HTR1A P08908 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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 0.92 DRD1 (0.39) DRD2DRD1DRD3CYP1A2ALOX12
SCHEMBL24308956 0.76 ALDH1A1 (0.47) DRD2DRD1DRD3ALOX12DRD5
SCHEMBL1709110 0.76 DRD2 (0.30) DRD2DRD1DRD3DRD5DRD4
SCHEMBL18329550 0.75 L3MBTL1 (0.40) DRD2DRD1DRD3ALOX12DRD5
SCHEMBL11837962 0.73 RAB9A (0.47) DRD2DRD1DRD3ALOX12DRD5
SCHEMBL13766657 0.72 BCL2L1 (0.48) DRD2DRD1DRD3DRD4MAOA
SCHEMBL2625788 0.70 ALOX12 (0.60) ALOX12MEN1ALDH1A1GAAMAPT
SCHEMBL1709095 0.70 HSD17B10 (0.35) DRD2DRD1ALOX12MEN1ALDH1A1
SCHEMBL57822 0.67 KMT2A (0.45) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL29837410 0.67 KMT2A (0.45) MEN1ALDH1A1GAAMAPTHPGD

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-8691992-B2 Octahydro biquinoline compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-04-08 US disclosed
US-20120088916-A1 OCTAHYDRO BIQUINOLINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-04-12 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-20120088916-A1 OCTAHYDRO BIQUINOLINE COMPOUND CYP2S1, HCRTR2, CYP2B6 DRD2 225/4885DRD1 406/4885DRD3 443/4885

“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.