SCHEMBL3277283

SCHEMBL3277283

Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.54
▸ HTT P42858 4/20 0.54
▸ XBP1 P17861 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ SMN1; SMN2 Q16637 7/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ HPGD P15428 1/20 0.44
▸ ALKBH1 Q13686 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SCN9A Q15858 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ KDM4E B2RXH2 6/20 0.43

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
SCHEMBL15180443 0.82 ALKBH1 (0.48) MAPTNPSR1NPC1RAB9ACCNA2
SCHEMBL1302323 0.81 MAPT (0.50) MAPTHTTXBP1NPSR1SMN1; SMN2
SCHEMBL14434720 0.77 LMNA (0.44) MAPTNPSR1NPC1RAB9AALKBH1
SCHEMBL15167512 0.77 SMN1; SMN2 (0.59) MAPTHTTXBP1NPSR1SMN1; SMN2
SCHEMBL13599998 0.77 MAPT (0.54) MAPTHTTXBP1NPSR1SMN1; SMN2
SCHEMBL27140538 0.76 MAPT (0.51) MAPTHTTXBP1NPSR1SMN1; SMN2
SCHEMBL20028501 0.76 SMN1; SMN2 (0.46) MAPTHTTXBP1NPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL15167754 0.76 SMN1; SMN2 (0.58) MAPTHTTXBP1NPSR1SMN1; SMN2
SCHEMBL15167339 0.76 CNR1 (0.51) MAPTHTTXBP1NPSR1SMN1; SMN2
SCHEMBL15167118 0.76 HTT (0.50) MAPTHTTXBP1NPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150555-B2 Amide derivative and use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-10-06 — — US disclosed
US-9150555-B2 Amide derivative and use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-10-06 — — US disclosed
EP-2657230-A1 AMIDE DERIVATIVE AND USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2013-10-30 — — EP disclosed
US-20130211075-A1 AMIDE DERIVATIVE AND USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-15 — — US disclosed
US-20130211075-A1 AMIDE DERIVATIVE AND USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-15 — — US disclosed
CN-103237800-A Amide derivatives and use thereof MITSUBISHI TANABE PHARMA CORP 2013-08-07 — — CN disclosed
EP-2066674-B1 OCTAHYDROPYRROLO [3, 4-C] PYRROLE DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2010-06-30 — — EP disclosed
US-7625905-B2 Octahydro-pyrrolo[3,4-c]pyrrole CCR5 receptor antagonists ROCHE PALO ALTO LLC (US) 2009-12-01 — — US disclosed
CN-101516884-A Octahydropyrrolo [3, 4-C] pyrrole derivatives an their use as antiviral agents HOFFMANN LA ROCHE (CH) 2009-08-26 — — CN disclosed
EP-2066674-A1 OCTAHYDROPYRROLO [3, 4-C] PYRROLE DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2009-06-10 — — EP disclosed
CN-101384596-A Heterocylic antiviral compounds HOFFMANN LA ROCHE (CH) 2009-03-11 — — CN disclosed
US-20080103125-A1 Heterocylic antiviral compounds ROCHE PALO ALTO LLC 2008-05-01 — — US disclosed
WO-2008034731-A1 OCTAHYDROPYRROLO [3, 4-C] PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 — — 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 (2 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-20130211075-A1 AMIDE DERIVATIVE AND USE THEREOF IL2, IL4, IL5 MAPT 1285/4885HTT 2826/4885XBP1 3683/4885
US-20080103125-A1 Heterocylic antiviral compounds CCR5, ACKR3, CXCR3 MAPT 4419/4885HTT 2169/4885XBP1 2315/4885

“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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