Sugi Predict

Sugi Predict / Compounds / SCHEMBL60181

SCHEMBL60181

SCHEMBL60181

O=C(Nc1ccc(C(F)(F)F)cn1)Oc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ LIPE Q05469 2/20 0.54
▸ PTGS1 P23219 2/20 0.52
▸ GAA P10253 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ TRPV1 Q8NER1 4/20 0.48
▸ FAAH O00519 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ RPS6KA3 P51812 1/20 0.47
▸ DEGS1 O15121 1/20 0.47
▸ PTGES O14684 1/20 0.46

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
SCHEMBL30782658 1.00 RAB9A (0.63) RAB9ANPC1LIPEPTGS1GAA
SCHEMBL27798543 0.86 GAA (0.63) RAB9ANPC1LIPEPTGS1GAA
SCHEMBL30582962 0.86 FAAH (0.48) RAB9ANPC1LIPEGAAPOLB
SCHEMBL59145 0.81 KMT2A (0.49) RAB9ANPC1FAAHALDH1A1
SCHEMBL32671808 0.81 KMT2A (0.49) RAB9ANPC1FAAHALDH1A1
SCHEMBL17894101 0.80 PTGS1 (0.74) RAB9ANPC1PTGS1GAATRPV1
SCHEMBL30643217 0.80 PTGS1 (0.74) RAB9ANPC1PTGS1GAATRPV1
SCHEMBL66426 0.80 RIOK2 (0.55) GAATRPV1FAAHALDH1A1
SCHEMBL3620154 0.79 RAB9A (0.68) RAB9ANPC1PTGS1GAAPOLB
SCHEMBL5788823 0.78 RAB9A (0.58) RAB9ANPC1GAAALDH1A1

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10584110-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2020-03-10 — — US disclosed
WO-2020030754-A1 PESTICIDALLY-ACTIVE MESOIONIC BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-02-13 — — WO disclosed
WO-2020030754-A1 PESTICIDALLY-ACTIVE MESOIONIC BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-02-13 — — WO disclosed
US-20180208575-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2018-07-26 — — US disclosed
US-20180208575-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2018-07-26 — — US disclosed
US-20180208575-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2018-07-26 — — US disclosed
US-9878991-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2018-01-30 — — US disclosed
US-9878991-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2018-01-30 — — US disclosed
US-9878991-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2018-01-30 — — US disclosed
EP-2709609-B1 HETEROCYCLIC COMPOUNDS SHIONOGI & CO (JP) 2017-10-04 — — EP disclosed
US-20050033048-A1 Spiro[isobenzofuran-1,4'-piperidin]-3-ones and 3h-spiroisobenzofuran-1,4'-piperidines NEUROGEN CORPORATION 2005-02-10 — — US disclosed
US-20040072847-A1 Spiro[isobenzofuran-1,4'-piperidin]-3-ones and 3H-spiroisobenzofuran-1,4'-piperidines NEUROGEN CORPORATION 2004-04-15 — — US disclosed
EP-1347982-A2 SPIRO ISOBENZOFURAN-1,4'-PIPERIDIN]-3-ONES AND 3H-SPIROISOBENZOFURAN-1,4'-PIPERIDINES Neurogen Corporation (US) 2003-10-01 — — EP disclosed
US-6566367-B2 For therapy of eating disorders such as obesity or bulimia, psychiatric disorders, diabetes and cardiovascular disorders such as hypertension in humans, domesticated companion animals and livestock animals PFIZER INC. 2003-05-20 — — US disclosed
US-20030036652-A1 Spiro[isobenzofuran-1,4'-piperidin]-3-ones and 3H-spiroisobenzofuran-1,4'-piperidines NEUROGEN CORPORATION 2003-02-20 — — US disclosed
WO-2002048152-A2 SPIRO[ISOBENZOFURAN-1,4'-PIPERIDIN]-3-ONES AND 3H-SPIROISOBENZOFURAN-1,4'-PIPERIDINES NEUROGEN CORPORATION (US) 2002-06-20 — — WO disclosed
EP-0508469-B1 3,4,N-Trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1999-03-03 — — EP disclosed
US-5493024-A 1,2-DIARYL-2-PROPEN-1-ONE CHEMICAL INTERMEDIATE COMPOUND DOWELANCO (US) 1996-02-20 — — US disclosed
US-5250532-A Moths. termites DOWELANCO (US) 1993-10-05 — — US disclosed
EP-0508469-A1 3,4,N-Trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1992-10-14 — — 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 (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-20040072847-A1 Spiro[isobenzofuran-1,4'-piperidin]-3-ones and 3H-spiroisobenzofuran-1,4'-piperidines NPY5R, NPY4R, NPY1R RAB9A 2949/4885NPC1 2794/4885LIPE 1200/4885
US-20180208575-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 RAB9A 1891/4885NPC1 911/4885LIPE 3723/4885
US-20030036652-A1 Spiro[isobenzofuran-1,4'-piperidin]-3-ones and 3H-spiroisobenzofuran-1,4'-piperidines NPY5R, NPY4R, NPY1R RAB9A 2949/4885NPC1 2794/4885LIPE 1200/4885
US-10584110-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof TRPV1, TRPA1, TRPV5 RAB9A 1891/4885NPC1 911/4885LIPE 3723/4885
US-20050033048-A1 Spiro[isobenzofuran-1,4'-piperidin]-3-ones and 3h-spiroisobenzofuran-1,4'-piperidines NPY5R, NPY4R, SSTR5 RAB9A 2901/4885NPC1 2893/4885LIPE 1054/4885

“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.