SCHEMBL7340453

SCHEMBL7340453

CCCCCCCCOc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
LMNA P02545 3/20 0.55
ALDH1A1 P00352 2/20 0.55
ME2 P23368 1/20 0.54
ME1 P48163 1/20 0.54
ME3 Q16798 1/20 0.54
GPR119 Q8TDV5 6/20 0.53
HIF1A Q16665 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
KDM4E B2RXH2 1/20 0.51
PLA2G2A P14555 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 2/20 0.49
HPGD P15428 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL22776398 0.96 MAPT (0.58) MAPTLMNAALDH1A1ME2ME1
SCHEMBL5462669 0.92 MAPT (0.58) MAPTLMNAALDH1A1ME2ME1
SCHEMBL23868398 0.91 MAPT (0.58) MAPTLMNAALDH1A1ME2ME1
SCHEMBL31715945 0.88 MAPT (0.53) MAPTLMNAALDH1A1ME2ME1
SCHEMBL3575001 0.88 MAPT (0.57) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL5467387 0.88 MAPT (0.61) MAPTLMNAALDH1A1ME2ME1
SCHEMBL7323749 0.87 SMN1; SMN2 (0.55) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL20305774 0.87 MAPT (0.56) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL21659378 0.86 MAPT (0.58) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL31716461 0.86 MAPT (0.54) MAPTLMNAALDH1A1GPR119SMN1; 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850206-B2 S1P and/or ATX modulating agents BIOGEN MA INC. (US) 2017-12-26 US disclosed
US-9850206-B2 S1P and/or ATX modulating agents BIOGEN MA INC. (US) 2017-12-26 US disclosed
EP-2925721-B1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2017-06-07 EP disclosed
EP-2925721-B1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2017-06-07 EP disclosed
EP-2925721-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2015-10-07 EP disclosed
US-20150274663-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2015-10-01 US disclosed
US-20150274663-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2015-10-01 US disclosed
WO-2014081752-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-05-30 WO disclosed
WO-2014081752-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-05-30 WO disclosed
CN-1203089-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2005-05-25 CN disclosed
EP-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
CN-1168675-A Novel compounds FUJISAWA PHARMACEUTICAL CO (JP) 1997-12-24 CN disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 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 (1 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-20150274663-A1 S1P AND/OR ATX MODULATING AGENTS LPAR3, S1PR3, S1PR1 MAPT 4831/4885LMNA 831/4885ALDH1A1 4675/4885

“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.