SCHEMBL1699765

SCHEMBL1699765

CN1CCCc2ccc3c(c21)-c1c(ccc2c1N(C)CCC2)OP(=O)(O)O3

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.38
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
ALOX12 P18054 1/20 0.30
BRD4 O60885 1/20 0.30
BRD2 P25440 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 0.73 DRD1 (0.39) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL6557292 0.72 GPR84 (0.44) GPR84ALDH1A1
SCHEMBL29463992 0.72 GPR84 (0.44) GPR84ALDH1A1
SCHEMBL24308956 0.72 ALDH1A1 (0.47) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL18965964 0.71 GPR84 (0.42) GPR84ALDH1A1
SCHEMBL18965866 0.71 GPR84 (0.42) GPR84ALDH1A1
SCHEMBL1699767 0.67 DRD2 (0.40) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL1709095 0.66 HSD17B10 (0.35) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL11837962 0.65 RAB9A (0.47) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL6643060 0.61 NOTUM (0.44) MEN1ALDH1A1GAAMAPTKMT2A

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 5 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-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
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 GPR84 988/4885MEN1 3642/4885ALDH1A1 1988/4885

“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.