SCHEMBL3626417

SCHEMBL3626417

O=C(c1cccnc1Cl)N1CCCCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 0.48
GPBAR1 Q8TDU6 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
PDK1 Q15118 5/20 0.45
PDK2 Q15119 5/20 0.45
PDK3 Q15120 5/20 0.45
PDK4 Q16654 5/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
AVPR2 P30518 5/20 0.42
RORC P51449 2/20 0.42
NR1I2 O75469 1/20 0.42
NR1H2 P55055 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL3627809 0.81 NR1H3 (0.53) NR1H3RORCNR1I2NR1H2
SCHEMBL3618178 0.80 POLB (0.59) NR1H3AVPR2RORCNR1I2NR1H2
SCHEMBL18070881 0.80 GPBAR1 (0.60) GPBAR1PDK1PDK2PDK3PDK4
SCHEMBL3615173 0.79 ALDH1A1 (0.60) NR1H3CYP3A4CYP2C9AVPR2RORC
SCHEMBL3618299 0.79 ALDH1A1 (0.55) NR1H3MEN1KMT2AAVPR2RORC
SCHEMBL3626841 0.79 NR1H3 (0.61) NR1H3AVPR2RORCNR1H2ALDH1A1
SCHEMBL3626671 0.77 NR1H3 (0.53) NR1H3RORCNR1I2NR1H2
SCHEMBL3626467 0.77 NR1H3 (0.51) NR1H3PDK1PDK2PDK3PDK4
SCHEMBL2335836 0.76 MEN1 (0.69) GPBAR1CYP3A4CYP2C9MEN1KMT2A
SCHEMBL11607914 0.76 NOTUM (0.64) NR1H3RORCNR1I2NR1H2ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951676-B1 N-ACYL BENZAZEPINE DERIVATIVES AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-07-17 EP disclosed
US-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
US-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
US-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
US-20070093470-A1 LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093470-A1 LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093470-A1 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-20070093470-A1 LXR modulators NR1H2, NR1H3, RXRB NR1H3 2/4885GPBAR1 37/4885CYP3A4 491/4885

“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.