SCHEMBL29447514

SCHEMBL29447514

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
SCHEMBL21722632 1.00 SLC6A4 (0.72) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL29974782 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570643-B2 3-aryloxy-3-five-membered heteroaryl propylamine compound, and crystal form and use thereof SHANGHAI LEADO PHARMATECH CO. LTD. (CN) 2026-03-10 US disclosed
CN-114206859-B 3-Aryloxy-3-five-membered heteroaryl-propylamine compound, and crystal forms and application thereof 上海璃道医药科技有限公司 2024-05-28 CN disclosed
CN-112566909-B 3-aryloxy-3-five-membered heteroaryl-propylamine compound and application thereof 上海璃道医药科技有限公司 2023-01-03 CN disclosed
US-20220213075-A1 3-ARYLOXY-3-FIVE-MEMBERED HETEROARYL PROPYLAMINE COMPOUND, AND CRYSTAL FORM AND USE THEREOF SHANGHAI LEADO PHARMATECH CO. LTD. (CN) 2022-07-07 US disclosed
CN-114206859-A 3-aryloxy-3-pentabasic heteroaryl-propylamine compound and crystal form and application thereof 上海璃道医药科技有限公司 2022-03-18 CN 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-20220213075-A1 3-ARYLOXY-3-FIVE-MEMBERED HETEROARYL PROPYLAMINE COMPOUND, AND CRYSTAL FORM AND USE THEREOF TRPM5, TRPV5, TRPM7 SLC6A4 109/4885SLC6A2 353/4885CYP1A2 1114/4885
US-12570643-B2 3-aryloxy-3-five-membered heteroaryl propylamine compound, and crystal form and use thereof TRPA1, TRPM7, TRPV1 SLC6A4 299/4885SLC6A2 430/4885CYP1A2 649/4885

“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.