SCHEMBL3618178

SCHEMBL3618178

O=C(c1cccnc1)N1CCCCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
HSD17B10 Q99714 1/20 0.59
STAT3 P40763 1/20 0.53
AVPR2 P30518 1/20 0.51
OXTR P30559 1/20 0.51
AVPR1A P37288 1/20 0.51
NR1H3 Q13133 4/20 0.50
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
RORC P51449 5/20 0.47
CYP11B2 P19099 3/20 0.47
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MLYCD O95822 1/20 0.44
CYP11B1 P15538 1/20 0.44
RAB9A P51151 1/20 0.43
NR1I2 O75469 1/20 0.43
NR1H2 P55055 1/20 0.43

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
SCHEMBL14538198 0.88 POLB (0.54) POLBHSD17B10STAT3AVPR2OXTR
SCHEMBL3615173 0.87 ALDH1A1 (0.60) AVPR2OXTRAVPR1ANR1H3RORC
SCHEMBL3626841 0.87 NR1H3 (0.61) AVPR2OXTRAVPR1ANR1H3RORC
SCHEMBL3626806 0.83 CYP11B1 (0.52) NR1H3HTR2AHTR2CRORCCYP11B2
SCHEMBL3618289 0.82 NR1H3 (0.51) NR1H3ALDH1A1NPSR1NR1H2
SCHEMBL3625739 0.82 NR1H3 (0.46) POLBHSD17B10AVPR2OXTRAVPR1A
SCHEMBL3626417 0.80 NR1H3 (0.48) AVPR2NR1H3RORCALDH1A1NR1I2
SCHEMBL3625560 0.79 NR1H3 (0.49) HSD17B10AVPR2OXTRAVPR1ANR1H3
SCHEMBL3626671 0.79 NR1H3 (0.53) NR1H3RORCNR1I2NR1H2
SCHEMBL13317259 0.78 RAB9A (0.57) AVPR2OXTRAVPR1ANR1H3ALDH1A1

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 POLB 1505/4885HSD17B10 193/4885STAT3 1356/4885

“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.