SCHEMBL21742809

SCHEMBL21742809

CNCC[C@H](Oc1cccc2occc12)c1cccs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.68
SLC6A3 Q01959 9/20 0.68
SLC6A2 P23975 8/20 0.68
MLNR O43193 1/20 0.68
CACNA1F O60840 1/20 0.68
CYP1A2 P05177 1/20 0.68
ADRB1 P08588 1/20 0.68
CYP3A4 P08684 1/20 0.68
HTR1A P08908 1/20 0.68
GAA P10253 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
DRD2 P14416 1/20 0.68
KCNE1 P15382 1/20 0.68
ADRA2B P18089 1/20 0.68
ADRA2C P18825 1/20 0.68
HTR2A P28223 1/20 0.68
HTR2C P28335 1/20 0.68
MC4R P32245 1/20 0.68
CYP2C19 P33261 1/20 0.68

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
SCHEMBL29447485 1.00 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2MLNRCACNA1F
SCHEMBL23522272 1.00 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2MLNRCACNA1F
SCHEMBL30788071 1.00 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2MLNRCACNA1F
SCHEMBL21731285 1.00 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2MLNRCACNA1F
SCHEMBL22669413 0.85 SLC6A2 (0.66) SLC6A4SLC6A3SLC6A2MLNRCACNA1F
SCHEMBL21722773 0.82 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2MLNRCACNA1F
SCHEMBL29447446 0.82 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2MLNRCACNA1F
SCHEMBL21722774 0.82 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2MLNRCACNA1F
SCHEMBL21731324 0.82 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2MLNRCACNA1F
SCHEMBL29447452 0.82 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2MLNRCACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 172/4885SLC6A3 154/4885SLC6A2 335/4885

“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.