Sugi Predict

Sugi Predict / Compounds / SCHEMBL615409

SCHEMBL615409

SCHEMBL615409

O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.68
▸ MEN1 O00255 5/20 0.68
▸ KMT2A Q03164 5/20 0.68
▸ ALDH1A1 P00352 4/20 0.68
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ SMN1; SMN2 Q16637 5/20 0.62
▸ LMNA P02545 6/20 0.59
▸ MAPK1 P28482 3/20 0.59
▸ RECQL P46063 1/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ GAA P10253 3/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL30148162 1.00 MAPT (0.68) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL19217687 0.95 SMN1; SMN2 (0.71) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL28744772 0.89 MAPT (0.60) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL3485710 0.87 MAPT (0.73) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL15828728 0.86 MAPT (0.51) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL1110574 0.86 MAPT (0.71) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL1110483 0.86 MAPT (0.71) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL1110533 0.86 MAPT (0.71) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL1110528 0.86 MAPT (0.71) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL23850176 0.83 MAPT (0.81) MAPTMEN1KMT2AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922319-A Urea derivative and its purposes 东丽株式会社 2018-04-17 — — CN disclosed
US-8815852-B2 Carbamoyloxy arylalkan arylpiperazine analgesics SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-08-26 — — US disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 — — US disclosed
CN-101679400-B Novel carbamoyloxy aryl alkan arylpiperazine compound, pharmaceutical compositions comprising the compound and method for treating pain, anxiety and depression by administering the compound SK HOLDINGS CO LTD 2013-04-17 — — CN disclosed
EP-2150550-B1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK BIOPHARMACEUTICALS CO LTD (KR) 2013-02-27 — — EP disclosed
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 — — US disclosed
US-20120095007-A2 CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE ANALGESICS SK HOLDINGS CO. LTD. (KR) 2012-04-19 — — US disclosed
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 — — US disclosed
CN-102295636-A Indol-3-y-carbonyl-piperidin and piperazin-derivatives — 2011-12-28 — — CN disclosed
EP-2392571-A2 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2011-12-07 — — EP disclosed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 — — EP disclosed
WO-2004087158-A2 MUSCARINIC M1 RECEPTOR AGONISTS FOR PAIN MANAGEMENT ACADIA PHARMACEUTICALS INC. (US) 2004-10-14 — — WO disclosed
EP-1465631-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-13 — — EP disclosed
EP-1389194-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-18 — — EP disclosed
US-6683093-B2 ENZYME INHIBITORS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE PHARMACIA CORPORATION 2004-01-27 — — US disclosed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 — — WO disclosed
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-08-28 — — US disclosed
WO-2003053366-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 — — WO disclosed
US-20030095958-A1 Inhibitors of bace VERTEX PHARMACEUTICALS INCORPORATED 2003-05-22 — — US disclosed
WO-2002088101-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 — — 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 (4 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-20030095958-A1 Inhibitors of bace BACE2, BACE1, APP MAPT 72/4885MEN1 2833/4885KMT2A 1940/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR MAPT 4078/4885MEN1 1220/4885KMT2A 1967/4885
US-20120095007-A2 CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE ANALGESICS OPRL1, OPRD1, TRPV1 MAPT 3078/4885MEN1 4814/4885KMT2A 2621/4885
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 MAPT 2666/4885MEN1 4670/4885KMT2A 2134/4885

“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.