SCHEMBL16660857

SCHEMBL16660857

CC(C)Oc1n[nH]c(-c2ccc(Br)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.47
▸ NR1H3 Q13133 2/20 0.47
▸ DGAT1 O75907 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 3/20 0.38
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ ALPL P05186 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ DCUN1D1 Q96GG9 1/20 0.36

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
SCHEMBL16661324 0.77 DGAT1 (0.47) NR1H2NR1H3DGAT1KDM4EMEN1
SCHEMBL28302288 0.74 XPO1 (0.39) NR1H2NR1H3KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8729070 0.72 ALPL (0.67) NR1H2NR1H3DGAT1KDM4EMEN1
SCHEMBL16661193 0.68 DCUN1D1 (0.69) NR1H2NR1H3DGAT1KDM4EMEN1
SCHEMBL26467181 0.67 NR1H2 (0.67) NR1H2NR1H3DGAT1KDM4EMEN1
SCHEMBL1619738 0.65 ALDH1A3 (0.47) KMT2AMAPTLMNAALDH1A1CYP1A2
SCHEMBL28147211 0.65 NR1H2 (1.00) NR1H2NR1H3DGAT1KDM4EMEN1
SCHEMBL31546307 0.65 NR1H2 (0.51) NR1H2NR1H3DGAT1KDM4EMEN1
SCHEMBL17280103 0.64 NR1H2 (0.58) NR1H2NR1H3DGAT1MEN1KMT2A
SCHEMBL12633098 0.64 NR1H2 (0.67) NR1H2NR1H3DGAT1MEN1KMT2A

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
US-10308636-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-04 — — US disclosed
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 — — EP disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 — — US disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 — — US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 — — US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 — — US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 — — US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 — — US disclosed
EP-2862856-A1 AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2015-04-22 — — EP 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 (3 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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 NR1H2 75/4885NR1H3 138/4885DGAT1 1688/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 NR1H2 75/4885NR1H3 138/4885DGAT1 1688/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 NR1H2 75/4885NR1H3 138/4885DGAT1 1688/4885

“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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