Isopropylamine

Isopropylamine

SCHEMBL755786

CC(C)N.O=C(O)c1cc(=O)c(O)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
GPR35 Q9HC97 2/20 0.34
MMP3 P08254 3/20 0.34
AKR1B1 P15121 1/20 0.34
MMP12 P39900 2/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
PRSS1 P07477 1/20 0.33
TMPRSS15 P98073 1/20 0.33

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
Methylamine SCHEMBL753441 0.96 CNR2 (0.38) CNR2GPR55ALDH1A1POLBMMP3
SCHEMBL753088 0.94 POLB (0.38) CNR2GPR55ALDH1A1POLBMMP3
Ethylamine SCHEMBL753922 0.94 CNR2 (0.37) CNR2GPR55ALDH1A1POLBMMP3
Dimethylamine SCHEMBL752802 0.93 CNR2 (0.38) CNR2GPR55ALDH1A1POLBMMP3
Aniline SCHEMBL752234 0.89 ALDH1A1 (0.38) CNR2GPR55ALDH1A1POLBGPR35
Benzylamine SCHEMBL754738 0.89 POLB (0.38) CNR2GPR55ALDH1A1POLBGPR35
SCHEMBL753407 0.83 HTT (0.49) CNR2GPR55ALDH1A1POLBLMNA
SCHEMBL755559 0.83 MMP3 (0.47) CNR2GPR55ALDH1A1POLBMMP3
SCHEMBL754737 0.81 ALDH1A1 (0.48) ALDH1A1POLBMMP3MMP12MMP1
SCHEMBL755446 0.81 TEAD4 (0.42) CNR2GPR55ALDH1A1POLBTDP1

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 11 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
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 CNR2 4345/4885GPR55 3514/4885ALDH1A1 658/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CNR2 3965/4885GPR55 2647/4885ALDH1A1 424/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CNR2 3965/4885GPR55 2647/4885ALDH1A1 424/4885

“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.