SCHEMBL4677271

SCHEMBL4677271

OCc1ccc(OC(F)F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.40
▸ GFER P55789 1/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ ATM Q13315 1/20 0.38
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ MAPT P10636 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAOB P27338 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL18097542 0.87 ALOX15 (0.39) ALOX15GFERADAM17ATMPPARG
SCHEMBL4680033 0.85 MRGPRX4 (0.40) ALOX15GFERADAM17ATMPPARG
SCHEMBL13615572 0.83 ALOX15 (0.37) ALOX15GFERADAM17ATMPPARG
SCHEMBL20494966 0.81 ALDH1A1 (0.41) ALOX15GFERADAM17ATMPPARG
SCHEMBL12474364 0.81 ALOX15 (0.36) ALOX15GFERADAM17ATMPPARG
SCHEMBL1287536 0.81 GPR6 (0.36) ALOX15GFERADAM17ATMPPARG
SCHEMBL18097556 0.80 ALOX15 (0.35) ALOX15GFERADAM17ATMPPARG
SCHEMBL15540042 0.78 FFAR4 (0.43) MAOB
SCHEMBL30484251 0.78 FFAR4 (0.43) MAOB
SCHEMBL3391434 0.77 DRD1 (0.41) ALOX15GFERADAM17ATMPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 — — EP disclosed
US-10689354-B2 Aminoazole derivative TEIJIN PHARMA LIMITED (JP) 2020-06-23 — — US disclosed
CN-105745214-B Tricyclic piperidine compounds 埃科特莱茵药品有限公司 2019-02-19 — — CN disclosed
US-20190031628-A1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2019-01-31 — — US disclosed
EP-3071578-B1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2018-01-10 — — EP disclosed
US-9765092-B2 Tricyclic piperidine compounds ACTELION PHARMACEUTICALS LTD (CH) 2017-09-19 — — US disclosed
WO-2017099237-A1 AMINOAZOLE DERIVATIVE 帝人ファーマ株式会社 2017-06-15 — — WO disclosed
EP-3071578-A1 TRICYCLIC PIPERIDINE COMPOUNDS Actelion Pharmaceuticals Ltd (CH) 2016-09-28 — — EP disclosed
US-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2016-09-22 — — US disclosed
WO-2015075023-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2015-05-28 — — WO disclosed
EP-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 — — EP disclosed
US-7022707-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-04-04 — — US disclosed
US-20040235859-A1 Novel piperazine derivatives ADAMS DAVID REGINALD (GB) 2004-11-25 — — US disclosed
EP-1343775-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-17 — — EP disclosed
US-20020143020-A1 Novel piperazine derivatives VERNALIS RESEARCH LIMITED (GB) 2002-10-03 — — US disclosed
WO-2002048124-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-20 — — WO 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 (5 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-10689354-B2 Aminoazole derivative AR, NR3C2, NR5A1 ALOX15 3114/4885GFER 1127/4885ADAM17 2796/4885
US-20190031628-A1 AMINOAZOLE DERIVATIVE AR, NR3C2, NR5A1 ALOX15 3114/4885GFER 1127/4885ADAM17 2796/4885
US-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS TPH1, HTR1B, HTR1A ALOX15 2761/4885GFER 3901/4885ADAM17 4587/4885
US-20020143020-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 ALOX15 2740/4885GFER 4458/4885ADAM17 4674/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 ALOX15 2740/4885GFER 4458/4885ADAM17 4674/4885

“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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