SCHEMBL753320

SCHEMBL753320

CCC(CC)NCCc1cc(CCc2ccccc2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.41
HTR7 P34969 1/20 0.39
MAP2K7 O14733 1/20 0.38
MAPK1 P28482 2/20 0.38
KCNH2 Q12809 1/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.38
APP P05067 1/20 0.38
HTT P42858 1/20 0.38
ESR1 P03372 2/20 0.36
BACE1 P56817 1/20 0.36
ATM Q13315 1/20 0.35
TAAR1 Q96RJ0 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
SCHEMBL752036 0.85 SIGMAR1 (0.45) SIGMAR1HTR7MAP2K7MAPK1KCNH2
SCHEMBL755313 0.80 TAAR1 (0.58) SIGMAR1MAP2K7MAPK1KCNH2EGFR
SCHEMBL19334491 0.79 SIGMAR1 (0.58) SIGMAR1LMNAATMTAAR1
SCHEMBL13754947 0.79 KCNH2 (0.56) MAP2K7MAPK1KCNH2EGFRLMNA
SCHEMBL3432650 0.77 MAP2K7 (0.44) MAP2K7MAPK1KCNH2EGFRLMNA
SCHEMBL755006 0.77 MAP2K7 (0.40) HTR7MAP2K7MAPK1KCNH2EGFR
SCHEMBL757063 0.76 L3MBTL1 (0.58) HTR7MAP2K7MAPK1KCNH2EGFR
SCHEMBL752175 0.76 GAA (0.58) SIGMAR1KCNH2ESR1
SCHEMBL752022 0.73 MAP2K7 (0.40) HTR7MAP2K7MAPK1KCNH2EGFR
SCHEMBL13754981 0.72 KCNH2 (0.47) MAP2K7MAPK1KCNH2EGFRLMNA

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
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
CN-101513402-B Antiviral agent SHIONOGI & CO 2012-03-21 CN disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
CN-101513402-A Antiviral agent SHIONOGI & CO (JP) 2009-08-26 CN disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT SIGMAR1 1836/4885HTR7 2433/4885MAP2K7 1723/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SIGMAR1 1890/4885HTR7 2955/4885MAP2K7 1314/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SIGMAR1 1890/4885HTR7 2955/4885MAP2K7 1314/4885

“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.