Doxylamine

Doxylamine

SCHEMBL12959067

CN(C)CCO[C@](C)(c1ccccc1)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HRH1

The experimentally established mechanism targets of Doxylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 known ✓ P35367 2/20 0.39
▸ CHRM2 P08172 5/20 1.00
▸ CYP2D6 P10635 3/20 0.83
▸ BLM P54132 2/20 0.83
▸ CHRM4 P08173 1/20 0.47
▸ CHRM5 P08912 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ CYP2C19 P33261 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ SLC6A2 P23975 3/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ SCN1A P35498 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ KCNH2 Q12809 3/20 0.39

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
Doxylamine SCHEMBL30702275 1.00 CHRM2 (1.00) CHRM2CYP2D6BLMCHRM4CHRM5
Doxylamine SCHEMBL4709 1.00 CHRM2 (1.00) CHRM2CYP2D6BLMCHRM4CHRM5
Doxylamine SCHEMBL30116312 1.00 CHRM2 (1.00) CHRM2CYP2D6BLMCHRM4CHRM5
Doxylamine SCHEMBL17047020 0.99 CHRM2 (0.97) CHRM2CYP2D6BLMCHRM4CHRM5
Doxylamine SCHEMBL1172924 0.91 BLM (1.00) CHRM2CYP2D6BLMCHRM4CHRM5
Doxylamine SCHEMBL17540680 0.91 BLM (1.00) CHRM2CYP2D6BLMCHRM4CHRM5
Doxylamine SCHEMBL160443 0.91 BLM (1.00) CHRM2CYP2D6BLMCHRM4CHRM5
Doxylamine SCHEMBL17558540 0.89 CHRM2 (0.79) CHRM2CYP2D6BLMCHRM4CHRM5
Doxylamine SCHEMBL21435766 0.86 CHRM2 (0.74) CHRM2CYP2D6BLMCHRM4CHRM5
Moxastine SCHEMBL29281 0.84 CHRM2 (0.71) CHRM2CYP2D6BLMCHRM4CHRM5

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-11458201-B2 Mucosal active agent delivery SUDA LTD. (AU) 2022-10-04 — — US disclosed
US-9456985-B2 Sustained-released product comprising a combination of a non-opioid amine and a non-steroidal, anti-inflammatory drug UPSHER-SMITH LABORATORIES, INC. (US) 2016-10-04 — — US disclosed
US-9456985-B2 Sustained-released product comprising a combination of a non-opioid amine and a non-steroidal, anti-inflammatory drug UPSHER-SMITH LABORATORIES, INC. (US) 2016-10-04 — — US disclosed
US-20150238423-A1 Sustained-Released Product Comprising a Combination of a Non-Opioid Amine and a Non-Steroidal, Anti-Inflammatory Drug UPSHER-SMITH LABORATORIES, INC. (US) 2015-08-27 — — US disclosed
US-20150238423-A1 Sustained-Released Product Comprising a Combination of a Non-Opioid Amine and a Non-Steroidal, Anti-Inflammatory Drug UPSHER-SMITH LABORATORIES, INC. (US) 2015-08-27 — — US disclosed
US-9023390-B2 Sustained-release product comprising a combination of a non-opioid amine and a non-steroidal anti-inflammatory drug UPSHER-SMITH LABORATORIES, INC. (US) 2015-05-05 — — US disclosed
US-9023390-B2 Sustained-release product comprising a combination of a non-opioid amine and a non-steroidal anti-inflammatory drug UPSHER-SMITH LABORATORIES, INC. (US) 2015-05-05 — — US disclosed
US-20120252833-A1 SUSTAINED-RELEASE PRODUCT COMPRISING A COMBINATION OF A NON-OPIOID AMINE AND A NON-STERIODAL ANTI-INFLAMMATORY DRUG UPSHER-SMITH LABORATORIES, INC. (US) 2012-10-04 — — US 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-20120252833-A1 SUSTAINED-RELEASE PRODUCT COMPRISING A COMBINATION OF A NON-OPIOID AMINE AND A NON-STERIODAL ANTI-INFLAMMATORY DRUG SIGMAR1, OPRM1, OPRK1 HRH1 621/4885CHRM2 902/4885CYP2D6 70/4885
US-20150238423-A1 Sustained-Released Product Comprising a Combination of a Non-Opioid Amine and a Non-Steroidal, Anti-Inflammatory Drug OPRK1, OPRM1, SIGMAR1 HRH1 281/4885CHRM2 524/4885CYP2D6 157/4885

“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.

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