SCHEMBL21742901

SCHEMBL21742901

NCC[C@H](Oc1cccc2ccoc12)c1ccoc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.38
SLC6A4 P31645 10/20 0.38
SLC6A3 Q01959 3/20 0.38
NOS2 P35228 3/20 0.32
CYP2D6 P10635 2/20 0.32
KCNK2 O95069 1/20 0.30
KCNH2 Q12809 1/20 0.30
CACNA1C Q13936 1/20 0.30

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
SCHEMBL29974656 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3NOS2CYP2D6
SCHEMBL23521648 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3NOS2CYP2D6
SCHEMBL23521650 0.84 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL29975150 0.84 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL23761083 0.84 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL23521649 0.84 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5079373 0.82 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3
SCHEMBL21722650 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL21722648 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL29974522 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339920-A1 PREPARATION METHOD FOR AND CRYSTAL FORM OF 3-ARYLOXY-3-FIVE-MEMBERED HETEROARYLPROPYLAMINE COMPOUND ZHANGZHOU PIEN TZE HUANG PHARMACEUTICAL CO., LTD. (CN) 2023-10-26 US disclosed
US-20230339920-A1 PREPARATION METHOD FOR AND CRYSTAL FORM OF 3-ARYLOXY-3-FIVE-MEMBERED HETEROARYLPROPYLAMINE COMPOUND ZHANGZHOU PIEN TZE HUANG PHARMACEUTICAL CO., LTD. (CN) 2023-10-26 US disclosed
US-20220119375-A1 3-ARYLOXY-3-ARYL-PROPYLAMINE COMPOUND AND USES THEREOF ZHANGZHOU PIEN TZE HUANG PHARMACEUTICAL CO., LTD. (CN) 2022-04-21 US disclosed
US-20220119375-A1 3-ARYLOXY-3-ARYL-PROPYLAMINE COMPOUND AND USES THEREOF ZHANGZHOU PIEN TZE HUANG PHARMACEUTICAL CO., LTD. (CN) 2022-04-21 US disclosed
WO-2021160134-A1 PREPARATION METHOD FOR AND CRYSTAL FORM OF 3-ARYLOXY-3-FIVE-MEMBERED HETEROARYL-PROPYLAMINE COMPOUND 漳州片仔癀药业股份有限公司 2021-08-19 WO disclosed
EP-3838900-A1 3-ARYLOXY-3-ARYL-PROPYLAMINE COMPOUND AND USES THEREOF Zhangzhou Pien Tze Huang Pharmaceutical Co., Ltd (CN) 2021-06-23 EP disclosed
EP-3838900-A1 3-ARYLOXY-3-ARYL-PROPYLAMINE COMPOUND AND USES THEREOF Zhangzhou Pien Tze Huang Pharmaceutical Co., Ltd (CN) 2021-06-23 EP disclosed
WO-2020035070-A1 3-ARYLOXY-3-ARYL-PROPYLAMINE COMPOUND AND USES THEREOF 漳州片仔癀药业股份有限公司 2020-02-20 WO 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 (2 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-20220119375-A1 3-ARYLOXY-3-ARYL-PROPYLAMINE COMPOUND AND USES THEREOF TRPV1, TRPA1, TRPC7 SLC6A2 335/4885SLC6A4 172/4885SLC6A3 154/4885
US-20230339920-A1 PREPARATION METHOD FOR AND CRYSTAL FORM OF 3-ARYLOXY-3-FIVE-MEMBERED HETEROARYLPROPYLAMINE COMPOUND TRPV1, TRPC7, TRPC4 SLC6A2 485/4885SLC6A4 94/4885SLC6A3 177/4885

“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.