SCHEMBL9228792

SCHEMBL9228792

CN1CCOC(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.50
DRD4 P21917 5/20 0.47
HRH3 Q9Y5N1 1/20 0.45
CYP2D6 P10635 4/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
KCNH2 Q12809 1/20 0.43
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
GRM2 Q14416 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CCR3 P51677 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
Hydrochloric Acid SCHEMBL10981595 0.98 SLC6A2 (0.49) SLC6A2DRD4HRH3CYP2D6SLC6A4
SCHEMBL13554191 0.81 DRD4 (0.55) DRD4HRH3CYP2D6CYP1A2CYP3A4
SCHEMBL13220035 0.80 HRH3 (0.49) SLC6A2DRD4HRH3
SCHEMBL13220008 0.80 HRH3 (0.49) SLC6A2DRD4HRH3
SCHEMBL12258991 0.80 HRH3 (0.49) SLC6A2DRD4HRH3
SCHEMBL25947642 0.80 DRD4 (0.47) SLC6A2DRD4HRH3CYP2D6SLC6A4
SCHEMBL5248060 0.80 DRD4 (0.47) SLC6A2DRD4HRH3CYP2D6SLC6A4
SCHEMBL19867147 0.80 DRD4 (0.43) DRD4HRH3CYP2D6GRM2CYP1A2
SCHEMBL19867149 0.80 DRD4 (0.43) DRD4HRH3CYP2D6GRM2CYP1A2
SCHEMBL13551809 0.80 DRD4 (0.43) DRD4HRH3CYP2D6GRM2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2024-07-11 US disclosed
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2023-12-14 US disclosed
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
WO-2023141511-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2023-07-27 WO disclosed
EP-3580220-B1 AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-11-17 EP disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
WO-2019147782-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-01 WO 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-20170166576-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-15 US disclosed
US-9493435-B2 IRE-1α inhibitors MANNKING CORPORATION (US) 2016-11-15 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-20150034882-A1 ELECTROCONDUCTIVE POLYACETAL RESIN COMPOSITION AND MOLDED PRODUCT ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-02-05 US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 US disclosed
EP-0453218-B1 Conductive polyoxymethylene resin composition ASAHI CHEMICAL IND (JP) 1995-09-20 EP disclosed
US-5207949-A Polyester ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1993-05-04 US disclosed
EP-0453218-A1 Conductive polyoxymethylene resin composition ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1991-10-23 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 (7 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 SLC6A2 4305/4885DRD4 4035/4885HRH3 4472/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 SLC6A2 4305/4885DRD4 4035/4885HRH3 4472/4885
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 SLC6A2 4731/4885DRD4 4534/4885HRH3 1907/4885
US-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 SLC6A2 4717/4885DRD4 3357/4885HRH3 3638/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 SLC6A2 4192/4885DRD4 4093/4885HRH3 4562/4885
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 SLC6A2 4717/4885DRD4 3357/4885HRH3 3638/4885
US-20170166576-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 SLC6A2 4150/4885DRD4 4845/4885HRH3 4488/4885

“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.