SCHEMBL23318472

SCHEMBL23318472

CN(Cc1cc(Br)cc(Br)c1N)C1CCC(S)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.75
▸ SLC6A4 P31645 2/20 0.75
▸ KCNH2 Q12809 2/20 0.75
▸ ABCB11 O95342 1/20 0.75
▸ ADORA3 P0DMS8 1/20 0.75
▸ AR P10275 1/20 0.75
▸ SLC6A2 P23975 1/20 0.75
▸ PDE4A P27815 1/20 0.75
▸ SLC6A3 Q01959 1/20 0.75
▸ SIGMAR1 Q99720 1/20 0.75
▸ LMNA P02545 2/20 0.73
▸ CYP3A4 P08684 2/20 0.73
▸ HTT P42858 1/20 0.73
▸ CYP1A2 P05177 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ GBA1 P04062 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ ALOX15 P16050 1/20 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
SCHEMBL23300539 1.00 CYP2D6 (0.75) CYP2D6SLC6A4KCNH2ABCB11ADORA3
SCHEMBL28572943 1.00 CYP2D6 (0.75) CYP2D6SLC6A4KCNH2ABCB11ADORA3
SCHEMBL28584586 1.00 CYP2D6 (0.75) CYP2D6SLC6A4KCNH2ABCB11ADORA3
Hydrochloric Acid SCHEMBL28598338 0.99 CYP3A4 (0.76) CYP2D6SLC6A4KCNH2ABCB11ADORA3
Hydrochloric Acid SCHEMBL28598337 0.99 CYP3A4 (0.76) CYP2D6SLC6A4KCNH2ABCB11ADORA3
SCHEMBL11286788 0.86 CYP2D6 (0.75) CYP2D6SLC6A4KCNH2ABCB11ADORA3
Bromhexine SCHEMBL29379593 0.86 CYP2D6 (1.00) CYP2D6SLC6A4KCNH2ABCB11ADORA3
Bromhexine SCHEMBL19059 0.86 CYP2D6 (1.00) CYP2D6SLC6A4KCNH2ABCB11ADORA3
SCHEMBL23300597 0.85 CYP2D6 (0.74) CYP2D6SLC6A4KCNH2ABCB11ADORA3
SCHEMBL23300596 0.85 CYP2D6 (0.74) CYP2D6SLC6A4KCNH2ABCB11ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220388952-A1 EXPECTORANT COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF HC Synthetic Pharmaceutical Co., Ltd. (CN) 2022-12-08 — — US disclosed
EP-4053103-A1 EXPECTORANT COMPOUND AND PREPARATION METHOD AND USE THEREOF HC Synthetic Pharmaceutical Co., Ltd. (CN) 2022-09-07 — — EP disclosed
WO-2021082501-A1 EXPECTORANT COMPOUND AND PREPARATION METHOD AND USE THEREOF 华创合成制药股份有限公司 2021-05-06 — — 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-20220388952-A1 EXPECTORANT COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF SLC10A2, UGT1A6, UGT1A1 CYP2D6 146/4885SLC6A4 66/4885KCNH2 4514/4885

“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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