SCHEMBL753023

SCHEMBL753023

CC(C)N1CC(c2cnc(Oc3ccccc3)cn2)=C(O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
RXRB P28702 1/20 0.35
EGLN1 Q9GZT9 3/20 0.34
GPR84 Q9NQS5 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
JAK3 P52333 2/20 0.34
IDH1 O75874 1/20 0.33
GRM5 P41594 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
ACACB O00763 5/20 0.32
KCNH2 Q12809 1/20 0.32
ACACA Q13085 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL2486824 0.89 HRH3 (0.43) HRH3RXRBEGLN1IDH1ALDH1A1
SCHEMBL754568 0.85 ACACB (0.40) HRH3IDH1GRM5ALDH1A1HTT
SCHEMBL752853 0.85 LIPG (0.42) HRH3OXTRAVPR1ARXRBEGLN1
SCHEMBL755270 0.80 HRH3 (0.38) HRH3EGLN1IDH1GRM5ALDH1A1
SCHEMBL756168 0.75 IDH1 (0.38) HRH3EGLN1IDH1ALDH1A1KCNH2
SCHEMBL754214 0.74 LIPG (0.45) HRH3RXRBEGLN1ALDH1A1HTT
SCHEMBL755368 0.72 HRH3 (0.39) HRH3EGLN1IDH1ALDH1A1KCNH2
SCHEMBL752783 0.70 ACACB (0.38) HRH3JAK2JAK3GRM5ALDH1A1
SCHEMBL754375 0.70 FYN (0.33) IDH1ALDH1A1HTTLIPGCYP3A4
SCHEMBL754428 0.69 LIPG (0.48) IDH1ACACBLIPG

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 10 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
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
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US 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 HRH3 2859/4885OXTR 3521/4885AVPR1A 3888/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HRH3 2614/4885OXTR 3573/4885AVPR1A 3031/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HRH3 2614/4885OXTR 3573/4885AVPR1A 3031/4885

“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.