SCHEMBL755313

SCHEMBL755313

CNCCc1cc(CCc2ccccc2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.58
ATM Q13315 1/20 0.58
HRH3 Q9Y5N1 1/20 0.50
LMNA P02545 3/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SIGMAR1 Q99720 1/20 0.47
KCNH2 Q12809 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 2/20 0.42
EGFR P00533 1/20 0.42
APP P05067 1/20 0.42
HTT P42858 1/20 0.42
MAP2K7 O14733 1/20 0.42
HTR6 P50406 1/20 0.41

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
SCHEMBL13754947 0.86 KCNH2 (0.56) TAAR1LMNAALDH1A1ALOX15KCNH2
SCHEMBL3432650 0.83 MAP2K7 (0.44) LMNAALDH1A1MEN1KMT2AKCNH2
SCHEMBL752036 0.83 SIGMAR1 (0.45) LMNASIGMAR1KCNH2MAPK1EGFR
SCHEMBL755006 0.83 MAP2K7 (0.40) TAAR1ATMLMNAALDH1A1MEN1
SCHEMBL757063 0.82 L3MBTL1 (0.58) TAAR1LMNAALDH1A1L3MBTL1MEN1
SCHEMBL752175 0.82 GAA (0.58) ALDH1A1MEN1KMT2ASIGMAR1KCNH2
SCHEMBL753320 0.80 SIGMAR1 (0.41) TAAR1ATMLMNASIGMAR1KCNH2
SCHEMBL752022 0.79 MAP2K7 (0.40) TAAR1ATMLMNAKCNH2MAPK1
SCHEMBL13754981 0.77 KCNH2 (0.47) LMNAKCNH2MAPK1EGFRAPP
SCHEMBL6810696 0.77 HTR2A (0.54) TAAR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI TAAR1 3797/4885ATM 2580/4885HRH3 2614/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI TAAR1 3797/4885ATM 2580/4885HRH3 2614/4885

“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.