SCHEMBL16035757

SCHEMBL16035757

N#CCC12CCC(c3cccc(OC4CCCCO4)c3)(CC1)OC2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.39
▸ DHFR P00374 1/20 0.38
▸ NR1H4 Q96RI1 4/20 0.33
▸ KDM4C Q9H3R0 1/20 0.30
▸ SLC6A4 P31645 6/20 0.30
▸ SLC6A2 P23975 5/20 0.30
▸ SLC22A1 O15245 3/20 0.30
▸ OPRM1 P35372 3/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ OPRD1 P41143 1/20 0.30
▸ OPRK1 P41145 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL16034913 0.90 HSD11B1 (0.38) HSD11B1DHFRNR1H4
SCHEMBL16035598 0.88 HSD11B1 (0.39) HSD11B1DHFRNR1H4
SCHEMBL16036893 0.87 HSD11B1 (0.41) HSD11B1DHFRNR1H4KDM4CSLC6A4
SCHEMBL16035205 0.85 NR1H4 (0.30) HSD11B1NR1H4
SCHEMBL16034892 0.85 HSD11B1 (0.42) HSD11B1DHFRNR1H4KDM4CSLC6A4
SCHEMBL16035250 0.82 HSD11B1 (0.38) HSD11B1DHFRNR1H4
SCHEMBL16035252 0.82 HSD11B1 (0.42) HSD11B1DHFRNR1H4SLC6A4SLC6A2
SCHEMBL16037316 0.82 HSD11B1 (0.40) HSD11B1DHFRNR1H4SLC6A4SLC6A2
Bicarbonate SCHEMBL18783217 0.81 HSD11B1 (0.39) HSD11B1DHFRNR1H4MEN1KMT2A
SCHEMBL16035128 0.80 HSD11B1 (0.40) HSD11B1DHFRNR1H4MEN1KMT2A

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-2970327-B1 OXABICYCLO [2.2.2]ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-05-03 — — EP disclosed
US-8962660-B2 Oxabicyclo [2.2.2] acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-24 — — US disclosed
US-20140275173-A1 OXABICYCLO [2.2.2] ACID GPR120 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-09-18 — — 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-20140275173-A1 OXABICYCLO [2.2.2] ACID GPR120 MODULATORS GPR180, GPR52, GPR55 HSD11B1 584/4885DHFR 3433/4885NR1H4 50/4885

“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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