SCHEMBL14925173

SCHEMBL14925173

CN1CCN(C(=O)N2CCc3cc(O)c(C=O)cc3C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.46
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ HSP90AA1 P07900 2/20 0.38
▸ ERCC1 P07992 1/20 0.37
▸ ERCC4 Q92889 1/20 0.37
▸ AKR1C3 P42330 1/20 0.36
▸ ERN1 O75460 2/20 0.36
▸ LCK P06239 1/20 0.35
▸ RET P07949 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ MAP3K5 Q99683 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ ESR2 Q92731 1/20 0.34

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
SCHEMBL14925211 0.84 HRH3 (0.61) HRH3MAPK1GAA
SCHEMBL14925167 0.83 ERCC1 (0.41) CA1CA2CA7CA9CA14
SCHEMBL14925184 0.83 ERCC1 (0.41) CA1CA2CA7CA9CA14
SCHEMBL30150247 0.82 CA1 (0.43) CA1CA2CA7CA9CA14
SCHEMBL17891164 0.82 CA1 (0.43) CA1CA2CA7CA9CA14
SCHEMBL14925169 0.82 RAB9A (0.41) ERCC1ERCC4ERN1
SCHEMBL14916930 0.82 RAB9A (0.41) ERCC1ERCC4ERN1
SCHEMBL27427406 0.77 ESR2 (0.59) CA1CA2CA7CA9CA14
SCHEMBL17890573 0.77 ESR2 (0.62) CA1CA2CA7CA9CA14
SCHEMBL29590263 0.77 ESR2 (0.62) CA1CA2CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 — — US disclosed
EP-3799870-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2021-04-07 — — EP disclosed
EP-3409276-B1 IRE-1A INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-12-30 — — EP disclosed
US-20190314330-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-10-17 — — US disclosed
US-10357475-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-07-23 — — US disclosed
US-9867803-B2 IRE-1α inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-16 — — US disclosed
US-9867803-B2 IRE-1α inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-16 — — US disclosed
US-20170326104-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-11-16 — — US disclosed
US-20170326104-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-11-16 — — US disclosed
US-9693992-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-07-04 — — US disclosed
US-9693992-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-07-04 — — US disclosed
US-9040714-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2015-05-26 — — US disclosed
US-9040714-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2015-05-26 — — US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 — — US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 — — US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 — — US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 — — 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 (6 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-20150141424-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 HRH3 4472/4885CA1 4157/4885CA2 4153/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 HRH3 4472/4885CA1 4157/4885CA2 4153/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 HRH3 4592/4885CA1 4402/4885CA2 4207/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 HRH3 4472/4885CA1 4157/4885CA2 4153/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 HRH3 4592/4885CA1 4402/4885CA2 4207/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 HRH3 4562/4885CA1 4302/4885CA2 4246/4885

“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.

Send feedback