SCHEMBL3068382

SCHEMBL3068382

COc1ccc(C)nc1COc1ccc2c(c1)CCN(C(=O)C(C)(C)C)[C@H]2C(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
CYP2D6 P10635 3/20 0.42
TP53 P04637 2/20 0.39
GHSR Q92847 6/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
S1PR1 P21453 1/20 0.37

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
SCHEMBL3068385 1.00 MEN1 (0.46) MEN1KMT2ALMNACYP2D6TP53
SCHEMBL13139369 0.93 CYP2D6 (0.41) MEN1KMT2ALMNACYP2D6TP53
SCHEMBL3065997 0.92 MTNR1B (0.43) MEN1KMT2ALMNACYP2D6TP53
SCHEMBL3066000 0.92 MTNR1B (0.43) MEN1KMT2ALMNACYP2D6TP53
SCHEMBL3071289 0.90 GHSR (0.46) CYP2D6GHSR
SCHEMBL3071292 0.90 GHSR (0.46) CYP2D6GHSR
SCHEMBL3074612 0.90 CYP2D6 (0.47) MEN1KMT2ALMNACYP2D6GHSR
SCHEMBL3079424 0.90 CYP2D6 (0.47) MEN1KMT2ALMNACYP2D6GHSR
SCHEMBL3074609 0.90 CYP2D6 (0.47) MEN1KMT2ALMNACYP2D6GHSR
SCHEMBL3080277 0.90 POLB (0.47) MEN1KMT2ACYP2D6TP53GHSR

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 8 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-7790745-B2 Tetrahydroisoquinoline LXR Modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-7790745-B2 Tetrahydroisoquinoline LXR Modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
WO-2007047991-A1 TETRAHYDROISOQUINOLINE AS LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-26 WO disclosed
US-20070093523-A1 Tetrahydroisoquinoline LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093523-A1 Tetrahydroisoquinoline LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 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 MEN1 3401/4885KMT2A 278/4885LMNA 1313/4885

“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.