SCHEMBL3071323

SCHEMBL3071323

COC(=O)C1c2ccc(OCc3cc([N+](=O)[O-])ccc3OC)cc2CCN1C(=O)OCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 9/20 0.45
GRIN2C Q14957 1/20 0.43
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41
NCOA1 Q15788 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL3069858 0.92 GHSR (0.43) GHSRGRIN2CKMT2ALMNANPSR1
SCHEMBL3077104 0.90 GHSR (0.48) GHSRKMT2A
SCHEMBL3074435 0.89 GHSR (0.51) GHSR
SCHEMBL3075436 0.88 GHSR (0.53) GHSRGRIN2C
SCHEMBL3071321 0.88 GHSR (0.53) GHSRGRIN2CKMT2ALMNANPSR1
SCHEMBL3074334 0.87 GHSR (0.47) GHSRGRIN2C
SCHEMBL3261334 0.87 GHSR (0.47) GHSRGRIN2CKMT2A
SCHEMBL3069134 0.86 GHSR (0.54) GHSR
SCHEMBL3072951 0.86 GHSR (0.48) GHSR
SCHEMBL3072269 0.85 GHSR (0.48) GHSR

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
EP-1951675-B1 TETRAHYDROISOQUINOLINE AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-03-20 EP disclosed
US-7790745-B2 Tetrahydroisoquinoline LXR Modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20070093523-A1 Tetrahydroisoquinoline LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 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-20070093523-A1 Tetrahydroisoquinoline LXR modulators NR1H2, NR1H3, NR1I2 GHSR 351/4885GRIN2C 800/4885KMT2A 278/4885

“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.