Clemastine

Clemastine

SCHEMBL4652160

CN(C)CCOC(c1ccccc1)c1ccccc1.CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HRH1

The experimentally established mechanism targets of Clemastine. 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 3/20 0.73
CHRM2 P08172 6/20 0.73
SLC6A2 P23975 6/20 0.73
SLC6A4 P31645 6/20 0.73
SLC6A3 Q01959 6/20 0.73
KCNH2 Q12809 5/20 0.73
ADRA2A P08913 5/20 0.73
CHRM1 P11229 5/20 0.73
OPRM1 P35372 5/20 0.73
DRD3 P35462 5/20 0.73
CYP3A4 P08684 4/20 0.73
ADRA1A P35348 4/20 0.73
HTR1A P08908 4/20 0.73
DRD1 P21728 4/20 0.73
CYP2D6 P10635 4/20 0.73
HRH3 Q9Y5N1 3/20 0.73
ADRA2B P18089 3/20 0.73
TSHR P16473 3/20 0.73
CHRM3 P20309 3/20 0.73
CYP2C19 P33261 3/20 0.73

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
Clemastine SCHEMBL28193835 1.00 CHRM2 (0.73) CHRM2SLC6A2SLC6A4SLC6A3KCNH2
Clemastine SCHEMBL6904801 0.90 DRD2 (0.64) CHRM2SLC6A2SLC6A4SLC6A3KCNH2
Clemastine SCHEMBL4178 0.86 CHRM3 (1.00) CHRM2SLC6A2SLC6A4SLC6A3KCNH2
Clemastine SCHEMBL4058472 0.86 CHRM3 (1.00) CHRM2SLC6A2SLC6A4SLC6A3KCNH2
Clemastine SCHEMBL4087919 0.86 CHRM3 (1.00) CHRM2SLC6A2SLC6A4SLC6A3KCNH2
Clemastine SCHEMBL23785539 0.86 CHRM3 (1.00) CHRM2SLC6A2SLC6A4SLC6A3KCNH2
Clemastine SCHEMBL727373 0.86 CHRM3 (1.00) CHRM2SLC6A2SLC6A4SLC6A3KCNH2
Clemastine SCHEMBL23785540 0.86 CHRM3 (1.00) CHRM2SLC6A2SLC6A4SLC6A3KCNH2
Clemastine SCHEMBL10625327 0.85 CHRM2 (0.65) CHRM2SLC6A2SLC6A4SLC6A3KCNH2
Clemastine SCHEMBL932384 0.84 CHRM3 (0.98) CHRM2SLC6A2SLC6A4SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107530494-A Injection system with storage compartment 希普罗特克有限公司 2018-01-02 CN disclosed
CN-107530493-A Injecting systems with storage compartment 希普罗特克有限公司 2018-01-02 CN disclosed
EP-1438031-B1 ORALLY ADMINISTERED LIQUID COMPOSITIONS COMPRISING GUAIFENESIN AND A POLYOXYALKYLENE BLOCK COPOLYMER PROCTER & GAMBLE (US) 2008-09-24 EP disclosed
US-7138133-B2 Orally administered liquid compositions THE PROCTER & GAMBLE COMPANY (US) 2006-11-21 US disclosed
EP-1438031-A1 ORALLY ADMINISTERED LIQUID COMPOSITIONS COMPRISING GUAIFENESIN AND A POLYOXYALKYLENE BLOCK COPOLYMER THE PROCTER & GAMBLE COMPANY (US) 2004-07-21 EP disclosed
US-20030113377-A1 Orally administered liquid compositions PROCTER & GAMBLE COMPANY, THE 2003-06-19 US disclosed
WO-2003030877-A1 ORALLY ADMINISTERED LIQUID COMPOSITIONS COMPRISING GUAIFENESIN AND A POLYOXYALKYLENE BLOCK COPOLYMER THE PROCTER & GAMBLE COMPANY (US) 2003-04-17 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-20030113377-A1 Orally administered liquid compositions PGA5, CYP2C19, CYP3A7 HRH1 1468/4885CHRM2 1404/4885SLC6A2 1662/4885

“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.