SCHEMBL21742882

SCHEMBL21742882

CNCC[C@H](Oc1cccc2occc12)c1ccoc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.50
SLC6A4 P31645 16/20 0.50
CYP1A2 P05177 4/20 0.44
CYP3A4 P08684 4/20 0.44
CYP2D6 P10635 4/20 0.44
TSHR P16473 3/20 0.44
SLC6A3 Q01959 3/20 0.44
KMT2A Q03164 2/20 0.44
CHRM1 P11229 2/20 0.44
ADRA2B P18089 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HRH1 P35367 2/20 0.44
OPRM1 P35372 2/20 0.44
DRD3 P35462 2/20 0.44
OPRK1 P41145 2/20 0.44
HTR2B P41595 2/20 0.44
KCNH2 Q12809 2/20 0.44
KLF10 Q13118 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44

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
SCHEMBL23521674 1.00 SLC6A2 (0.50) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL30788068 1.00 SLC6A2 (0.50) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6712642 0.86 SLC6A4 (0.65) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6712640 0.86 SLC6A4 (0.65) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5869202 0.86 SLC6A4 (0.65) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL23761083 0.81 SLC6A2 (0.50) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL23521649 0.81 SLC6A2 (0.50) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL29975150 0.81 SLC6A2 (0.50) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL23521650 0.81 SLC6A2 (0.50) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL21742919 0.80 KCNA3 (0.34) SLC6A2SLC6A4HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 SLC6A2 335/4885SLC6A4 172/4885CYP1A2 1363/4885

“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.