SCHEMBL2227113

SCHEMBL2227113

O=C(O)C(c1ccccc1)N1CCCC1

nearest known ligand 0.96

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.96
GAA P10253 1/20 0.93
ALDH1A1 P00352 4/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
TSHR P16473 1/20 0.58
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 4/20 0.55
CYP3A4 P08684 4/20 0.55
CYP2D6 P10635 4/20 0.55
CYP2C9 P11712 4/20 0.55
KCNA5 P22460 4/20 0.55
CYP2C19 P33261 4/20 0.55
KCNH2 Q12809 4/20 0.55
KCNE1 P15382 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51

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
SCHEMBL628330 1.00 LMNA (0.96) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL1808956 0.98 GAA (0.96) LMNAGAAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL15063253 0.98 LMNA (1.00) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL2554530 0.98 GAA (0.96) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL628011 0.98 GAA (0.96) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL15063248 0.98 GAA (0.96) LMNAGAAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL629184 0.96 GAA (1.00) LMNAGAAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL2988022 0.96 GAA (1.00) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL18061849 0.96 LMNA (0.89) LMNAGAAALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL2553047 0.90 LMNA (0.78) LMNAGAAALDH1A1MEN1KMT2A

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108135883-B Pharmaceutical composition containing arylalkylamine compound 协和麒麟株式会社 2021-09-14 CN claimed
CN-108135883-A Pharmaceutical composition containing arylalkylamine compound 协和发酵麒麟株式会社 2018-06-08 CN claimed
CN-108135883-B Pharmaceutical composition containing arylalkylamine compound 协和麒麟株式会社 2021-09-14 CN disclosed
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
CN-108135883-A Pharmaceutical composition containing arylalkylamine compound 协和发酵麒麟株式会社 2018-06-08 CN disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 EP disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
EP-2640719-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-05-10 EP disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 WO disclosed
CN-102459165-A Anti-viral compounds ABBOTT LAB 2012-05-16 CN disclosed
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
WO-2011091446-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-07-28 WO disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 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-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 LMNA 1353/4885GAA 151/4885ALDH1A1 3957/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 LMNA 4038/4885GAA 2841/4885ALDH1A1 1520/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 LMNA 1353/4885GAA 151/4885ALDH1A1 3957/4885

“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.