SCHEMBL365219

SCHEMBL365219

CN(Cc1ccccc1N)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ABCB11 O95342 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
AR P10275 1/20 0.52
CYP2D6 P10635 1/20 0.52
SLC6A2 P23975 1/20 0.52
PDE4A P27815 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KCNH2 Q12809 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
HRH3 Q9Y5N1 2/20 0.51
HRH4 Q9H3N8 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTT P42858 1/20 0.51
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.45

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
Hydrochloric Acid SCHEMBL5154357 0.98 ALDH1A1 (0.54) ALDH1A1LMNAMAPTSMN1; SMN2ABCB11
SCHEMBL28243088 0.94 ALDH1A1 (0.50) ALDH1A1LMNAMAPTSMN1; SMN2ABCB11
SCHEMBL11620447 0.81 CYP2D6 (0.54) ALDH1A1LMNAMAPTSMN1; SMN2ABCB11
SCHEMBL15302870 0.80 CYP2D6 (0.68) ALDH1A1LMNAMAPTSMN1; SMN2ABCB11
SCHEMBL11622509 0.80 SLC6A2 (0.52) ALDH1A1LMNAMAPTSMN1; SMN2ABCB11
Hydrochloric Acid SCHEMBL11686957 0.79 LMNA (0.55) ALDH1A1LMNAMAPTSMN1; SMN2ABCB11
Hydrochloric Acid SCHEMBL11685187 0.79 LMNA (0.55) ALDH1A1LMNAMAPTSMN1; SMN2ABCB11
SCHEMBL30080140 0.78 ABCB11 (0.66) ALDH1A1LMNAMAPTSMN1; SMN2ABCB11
SCHEMBL28000601 0.78 ABCB11 (0.66) ALDH1A1LMNAMAPTSMN1; SMN2ABCB11
Hydrochloric Acid SCHEMBL28000604 0.78 LMNA (0.68) ALDH1A1LMNAMAPTSMN1; SMN2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115980202-B High performance liquid chromatography detection method for bromhexine hydrochloride crude drug related substances 山东齐都药业有限公司 2025-03-28 CN claimed
CN-115980202-A High performance liquid chromatography detection method for related substances of bromhexine hydrochloride bulk drug 山东齐都药业有限公司 2023-04-18 CN claimed
WO-2022233109-A1 RUBBER CONTAINING MODIFIED GRAPHENE 福建师范大学泉港石化研究院 2022-11-10 WO claimed
CN-113185759-B Rubber containing modified graphene 福建师范大学泉港石化研究院 2022-04-01 CN claimed
CN-113185759-A Rubber containing modified graphene 福建师范大学泉港石化研究院 2021-07-30 CN claimed
CN-104356002-A Preparation process of impurities contained in expectorant drug bromhexine hydrochloride UNIV HEBEI MEDICAL 2015-02-18 CN claimed
WO-1997006131-A1 METHOD OF PREPARING BENZYLAMINE DERIVATIVES BOEHRINGER INGELHEIM KG (DE) 1997-02-20 WO claimed
CN-115980202-B High performance liquid chromatography detection method for bromhexine hydrochloride crude drug related substances 山东齐都药业有限公司 2025-03-28 CN disclosed
CN-115980202-A High performance liquid chromatography detection method for related substances of bromhexine hydrochloride bulk drug 山东齐都药业有限公司 2023-04-18 CN disclosed
WO-2023058050-A1 A PROCESS FOR PREPARATION OF PHARMACEUTICALLY ACTIVE COMPOUNDS VIA SELECTIVE NITRO REDUCTION REACTIONS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2023-04-13 WO disclosed
WO-2022233109-A1 RUBBER CONTAINING MODIFIED GRAPHENE 福建师范大学泉港石化研究院 2022-11-10 WO disclosed
CN-113185759-B Rubber containing modified graphene 福建师范大学泉港石化研究院 2022-04-01 CN disclosed
CN-113185759-B Rubber containing modified graphene 福建师范大学泉港石化研究院 2022-04-01 CN disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
CN-101006076-A Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2007-07-25 CN disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
US-20050209334-A1 method of treating cancer using benzoic acid derivatives, alone or in combination with standard treatments such as chemotherapy and radiotherapy methods of screening for benzoic derivatives based on their ability to inhibit the enzyme tyrosinase or to bind to and activate PXR/SXR xenobiotic receptors. NEW YORK UNIVERSITY (US) 2005-09-22 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 (4 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-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885LMNA 2816/4885MAPT 4269/4885
US-20050209334-A1 method of treating cancer using benzoic acid derivatives, alone or in combination with standard treatments such as chemotherapy and radiotherapy methods of screening for benzoic derivatives based on their ability to inhibit the enzyme tyrosinase or to bind to and activate PXR/SXR xenobiotic receptors. AHR, TYR, CYP4X1 ALDH1A1 598/4885LMNA 3667/4885MAPT 3055/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 ALDH1A1 2651/4885LMNA 3399/4885MAPT 4775/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 ALDH1A1 2221/4885LMNA 3499/4885MAPT 4847/4885

“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.