SCHEMBL21722632

SCHEMBL21722632

CNCC[C@H](Oc1cccc2ccoc12)c1ccco1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.72
SLC6A2 P23975 15/20 0.72
CYP1A2 P05177 4/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2D6 P10635 4/20 0.43
SLC6A3 Q01959 3/20 0.43
KMT2A Q03164 3/20 0.43
ADRA2B P18089 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
CYP2C19 P33261 2/20 0.43
HRH1 P35367 2/20 0.43
OPRM1 P35372 2/20 0.43
DRD3 P35462 2/20 0.43
OPRK1 P41145 2/20 0.43
HTR2B P41595 2/20 0.43
KCNH2 Q12809 2/20 0.43
MLNR O43193 1/20 0.43
CACNA1F O60840 1/20 0.43
ADRB1 P08588 1/20 0.43

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
SCHEMBL21731163 1.00 SLC6A4 (0.72) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL21722633 1.00 SLC6A4 (0.72) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL29974782 1.00 SLC6A4 (0.72) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL29447514 1.00 SLC6A4 (0.72) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL21722763 0.85 SLC6A4 (0.67) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL21722765 0.85 SLC6A4 (0.67) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5869172 0.84 SLC6A4 (0.65) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5869175 0.84 SLC6A4 (0.65) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5869484 0.84 SLC6A4 (0.65) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL5078652 0.84 SLC6A4 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115135644-B Preparation method 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 2024-06-18 CN disclosed
CN-112654616-B 3-aryloxy-3-aryl-propylamines and application thereof 漳州片仔癀药业股份有限公司 2024-03-12 CN 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-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
CN-115135644-A Preparation method and crystal form of 3-aryloxy-3-pentabasic heteroaryl-propylamine compound 漳州片仔癀药业股份有限公司 2022-09-30 CN 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
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
CN-112654616-A 3-aryloxy-3-aryl-propylamine compounds and application thereof 漳州片仔癀药业股份有限公司 2021-04-13 CN 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
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 SLC6A4 172/4885SLC6A2 335/4885CYP1A2 1363/4885
US-20230339920-A1 PREPARATION METHOD FOR AND CRYSTAL FORM OF 3-ARYLOXY-3-FIVE-MEMBERED HETEROARYLPROPYLAMINE COMPOUND TRPV1, TRPC7, TRPC4 SLC6A4 94/4885SLC6A2 485/4885CYP1A2 1301/4885

“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.