SCHEMBL6558636

SCHEMBL6558636

O=C(O)COCCN1CCN(Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.60
HTR2A P28223 2/20 0.60
HRH2 P25021 2/20 0.60
SLC6A2 P23975 1/20 0.60
SLC6A4 P31645 1/20 0.60
DRD3 P35462 1/20 0.60
HTR2B P41595 1/20 0.60
SLC6A3 Q01959 1/20 0.60
TEK Q02763 1/20 0.60
KCNH2 Q12809 1/20 0.60
USP2 O75604 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CACNA1G O43497 4/20 0.50
LSS P48449 2/20 0.50
SIGMAR1 Q99720 1/20 0.49
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
CHRM1 P11229 1/20 0.46
MCHR1 Q99705 1/20 0.46

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 SCHEMBL28377294 0.99 HRH1 (0.61) HRH1HTR2AHRH2SLC6A2SLC6A4
SCHEMBL7604178 0.85 HRH1 (0.60) HRH1HTR2AHRH2SLC6A2SLC6A4
SCHEMBL8059627 0.84 HRH1 (0.52) HRH1HTR2AHRH2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7951764 0.83 HRH1 (0.60) HRH1HTR2AHRH2SLC6A2SLC6A4
SCHEMBL219876 0.83 HRH1 (0.59) HRH1HTR2AHRH2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL29175115 0.83 HRH1 (0.53) HRH1HTR2AHRH2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL219199 0.82 HRH1 (0.60) HRH1HTR2AHRH2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5686168 0.82 HRH1 (0.60) HRH1HTR2AHRH2SLC6A2SLC6A4
SCHEMBL13073679 0.82 CACNA1G (0.53) HRH1HTR2AHRH2SLC6A2SLC6A4
SCHEMBL2058761 0.81 HRH1 (0.57) HRH1HTR2AHRH2SLC6A2SLC6A4

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
EP-2121643-B1 NEW PROCESS FOR THE PREPARATION OF LEVOCETIRIZINE AND INTERMEDIATES THEREOF KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2013-10-23 EP disclosed
US-20040186112-A1 Polymorphic forms of dihydrochloride salts of cetirizine and processes for preparation thereof DR. REDDY'S LABORATORIES LIMITED 2004-09-23 US disclosed
WO-2004050647-A2 POLYMORPHIC FORMS OF DIHYDROCHLORIDE SALTS OF CETIRIZINE AND PROCESSES FOR PREPARATION THEREOF DR. REDDY'S LABORATORIES LIMITED (IN) 2004-06-17 WO disclosed
US-6046332-A Methods for the manufacture of cetirizine TAO YONG (CA) 2000-04-04 US disclosed
US-6046332-A Methods for the manufacture of cetirizine TAO YONG (CA) 2000-04-04 US disclosed
WO-1998002425-A1 METHODS FOR THE MANUFACTURE OF CETIRIZINE APOTEX INC. (CA) 1998-01-22 WO disclosed
WO-1998002425-A1 METHODS FOR THE MANUFACTURE OF CETIRIZINE APOTEX INC. (CA) 1998-01-22 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-20040186112-A1 Polymorphic forms of dihydrochloride salts of cetirizine and processes for preparation thereof HRH1, HRH4, HRH2 HRH1 1/4885HTR2A 153/4885HRH2 3/4885

“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.