SCHEMBL3623987

SCHEMBL3623987

CC(C)C(=O)N1CCCCc2cc(C(O)(C(F)(F)Cl)C(F)(F)Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.45
▸ NR1H3 Q13133 5/20 0.44
▸ CYP11B1 P15538 2/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ IDO1 P14902 2/20 0.40
▸ NR1H2 P55055 2/20 0.40
▸ RORC P51449 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP11B2 P19099 1/20 0.38

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
SCHEMBL11610638 0.91 NR1H3 (0.54) NOTUMNR1H3CYP11B1CYP3A4CYP2C9
SCHEMBL26763830 0.83 NOTUM (0.61) NOTUMCYP11B1CYP3A4CYP2C9NPC1
SCHEMBL3619551 0.78 NR1H3 (0.56) NOTUMNR1H3CYP3A4CYP2C9NR1H2
SCHEMBL3619548 0.78 NR1H3 (0.56) NOTUMNR1H3CYP3A4CYP2C9NR1H2
SCHEMBL3625718 0.78 ALDH1A1 (0.49) NR1H3CYP11B1RORCALDH1A1MAPT
SCHEMBL3626532 0.78 NR1H3 (0.56) NOTUMNR1H3CYP3A4CYP2C9NR1H2
SCHEMBL3623891 0.77 NR1H3 (0.52) NOTUMNR1H3CYP3A4CYP2C9NR1H2
SCHEMBL11607914 0.77 NOTUM (0.64) NOTUMNR1H3NR1H2RORCNR1I2
SCHEMBL3618013 0.76 NR1H3 (0.51) NOTUMNR1H3CYP3A4CYP2C9NR1H2
SCHEMBL3623624 0.76 NR1H3 (0.53) NOTUMNR1H3NR1H2RORCNR1I2

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 9 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
EP-1951676-A2 LXR MODULATORS Brystol-Myers Squibb Company (US) 2008-08-06 — — EP disclosed
WO-2007050425-A2 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 — — WO disclosed
WO-2007050425-A2 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 — — WO 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 NOTUM 3248/4885NR1H3 2/4885CYP11B1 103/4885

“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.

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