SCHEMBL2342350

SCHEMBL2342350

Nc1c(Br)cc(Br)cc1CNC1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 4/20 0.74
▸ LMNA P02545 4/20 0.74
▸ CYP1A2 P05177 3/20 0.74
▸ SLC6A4 P31645 2/20 0.74
▸ KCNH2 Q12809 2/20 0.74
▸ HIF1A Q16665 2/20 0.74
▸ GBA1 P04062 1/20 0.74
▸ CNR1 P21554 1/20 0.74
▸ TBXA2R P21731 1/20 0.74
▸ HRH2 P25021 1/20 0.74
▸ CYP3A4 P08684 2/20 0.72
▸ TDP1 Q9NUW8 2/20 0.72
▸ ALOX15 P16050 2/20 0.72
▸ TSHR P16473 1/20 0.72
▸ ABCB11 O95342 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ AR P10275 1/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ PDE4A P27815 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54

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
SCHEMBL30080216 1.00 CYP2D6 (0.74) CYP2D6LMNACYP1A2SLC6A4KCNH2
SCHEMBL24446594 1.00 CYP2D6 (0.74) CYP2D6LMNACYP1A2SLC6A4KCNH2
Hydrochloric Acid SCHEMBL158567 0.98 CYP3A4 (0.74) CYP2D6LMNACYP1A2SLC6A4KCNH2
Hydrochloric Acid SCHEMBL29729337 0.98 CYP3A4 (0.74) CYP2D6LMNACYP1A2SLC6A4KCNH2
SCHEMBL22927420 0.90 CYP2D6 (0.65) CYP2D6LMNACYP1A2SLC6A4KCNH2
SCHEMBL24446500 0.90 CYP2D6 (0.65) CYP2D6LMNACYP1A2SLC6A4KCNH2
SCHEMBL24446428 0.89 CYP2D6 (0.67) CYP2D6LMNACYP1A2SLC6A4KCNH2
SCHEMBL22927156 0.88 CYP2D6 (0.67) CYP2D6LMNACYP1A2SLC6A4KCNH2
SCHEMBL10805559 0.86 CYP2D6 (0.76) CYP2D6LMNACYP1A2SLC6A4KCNH2
SCHEMBL10805556 0.86 CYP2D6 (0.76) CYP2D6LMNACYP1A2SLC6A4KCNH2

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677825-A Degradation agent of target host cell transmembrane serine protease 2 and synthetic method and application thereof 杭州医学院 2023-02-03 — — CN claimed
CN-115518058-A Application of N-cycloalkyl substituted aromatic methylamine compound in preparation of antiviral drug, structure and preparation method 河北医科大学 2022-12-27 — — CN claimed
CN-103391777-A Sirtuin modulators as virus production modulators UNIV PRINCETON 2013-11-13 — — CN claimed
JP-6165646-A — — None — — JP disclosed
US-20230346671-A1 USE OF AMBROXOL TO IMPROVE SKIN BARRIER FUNCTION NEUERE, LLC (US) 2023-11-02 — — US disclosed
US-11730690-B2 Use of ambroxol to improve skin barrier function NEUERE, LLC (US) 2023-08-22 — — US disclosed
WO-2023150072-A1 COMPOSITIONS AND METHODS FOR THE PRESERVATION OF PLANT MATTER SINCLAIR DAVID A (US) 2023-08-10 — — WO disclosed
CN-116514666-A Preparation method of bromhexine hydrochloride 北京阳光诺和药物研究股份有限公司 2023-08-01 — — CN disclosed
US-11583543-B2 Ambroxol to improve and/or extend healthspan, lifespan and/or mental acuity NEUERE, LLC (US) 2023-02-21 — — US disclosed
CN-115677825-A Degradation agent of target host cell transmembrane serine protease 2 and synthetic method and application thereof 杭州医学院 2023-02-03 — — CN disclosed
CN-115518058-A Application of N-cycloalkyl substituted aromatic methylamine compound in preparation of antiviral drug, structure and preparation method 河北医科大学 2022-12-27 — — CN disclosed
EP-2361618-A2 Compositions for treating or preventing obesity and insulin resistance disorders The President and Fellows of Harvard College (US) 2011-08-31 — — EP disclosed
CN-101247793-A Compositions for treating or preventing obesity and insulin resistance disorders GEN HOSPITAL CORP (US) 2008-08-20 — — CN disclosed
US-20060292099-A1 Treatment of eye disorders with sirtuin modulators SIRTRIS PHARMACEUTICALS, INC. 2006-12-28 — — US disclosed
US-20050171027-A1 Compositions for treating or preventing obesity and insulin resistance disorders PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-08-04 — — US disclosed
JP-H06165646-A CHEMOTHERAPEUTIC COMPOSITION FOR MICROBIAL INFECTIOUS DISEASE OF FISH BOEHRINGER INGELHEIM VETMEDIKA GMBH 1994-06-14 — — JP disclosed
EP-0212927-B1 PHARMACEUTICAL COMPOSITION COMPRISING SODIUM CROMOGLYCATE AND A MUCOLYTIC AGENT FISONS plc (GB) 1991-10-23 — — EP disclosed
EP-0212927-A1 Pharmaceutical composition comprising sodium cromoglycate and a mucolytic agent FISONS plc (GB) 1987-03-04 — — EP disclosed
EP-0130224-B1 PROCESS FOR THE PREPARATION OF 2-AMINO-3,5-DIBROMOBENZYL AMINES LUDWIG HEUMANN & CO GMBH (DE) 1986-09-10 — — EP disclosed
EP-0130224-A1 Process for the preparation of 2-amino-3,5-dibromobenzyl amines LUDWIG HEUMANN & CO GMBH (DE) 1985-01-09 — — EP 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 (5 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-20230346671-A1 USE OF AMBROXOL TO IMPROVE SKIN BARRIER FUNCTION CUTA, MCOLN3, MMP1 CYP2D6 1737/4885LMNA 1615/4885CYP1A2 219/4885
US-11583543-B2 Ambroxol to improve and/or extend healthspan, lifespan and/or mental acuity BTD, BRD3, GLA CYP2D6 4244/4885LMNA 1420/4885CYP1A2 1186/4885
US-20060292099-A1 Treatment of eye disorders with sirtuin modulators SIRT1, SIRT2, SIRT3 CYP2D6 4771/4885LMNA 3964/4885CYP1A2 4117/4885
US-20050171027-A1 Compositions for treating or preventing obesity and insulin resistance disorders FABP4, GPR119, SIRT1 CYP2D6 4876/4885LMNA 937/4885CYP1A2 4720/4885
US-11730690-B2 Use of ambroxol to improve skin barrier function CUTA, MCOLN3, MCOLN2 CYP2D6 1492/4885LMNA 1774/4885CYP1A2 154/4885

“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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