SCHEMBL12464946

SCHEMBL12464946

Clc1ccc(CN2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.80
HRH1 P35367 3/20 0.80
OPRK1 P41145 3/20 0.80
ADORA3 P0DMS8 2/20 0.80
CNR1 P21554 2/20 0.80
GHSR Q92847 2/20 0.80
LMNA P02545 2/20 0.80
NR1I2 O75469 1/20 0.80
PDE4D Q08499 1/20 0.80
CHRM2 P08172 3/20 0.74
ADRA2A P08913 3/20 0.74
ADRA1A P35348 3/20 0.74
DRD3 P35462 3/20 0.74
CYP2D6 P10635 3/20 0.74
CYP3A4 P08684 2/20 0.74
CHRM1 P11229 2/20 0.74
DRD1 P21728 2/20 0.74
SLC6A2 P23975 2/20 0.74
SLC6A4 P31645 2/20 0.74
SLC6A3 Q01959 2/20 0.74

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
SCHEMBL3611802 0.97 KCNH2 (0.78) KCNH2HRH1OPRK1ADORA3CNR1
SCHEMBL588111 0.97 KCNH2 (0.78) KCNH2HRH1OPRK1ADORA3CNR1
SCHEMBL588110 0.97 KCNH2 (0.78) KCNH2HRH1OPRK1ADORA3CNR1
Hydrochloric Acid SCHEMBL588103 0.95 LMNA (0.79) KCNH2HRH1OPRK1ADORA3CNR1
Hydrochloric Acid SCHEMBL587709 0.95 LMNA (0.79) KCNH2HRH1OPRK1ADORA3CNR1
Hydrochloric Acid SCHEMBL588128 0.95 LMNA (0.79) KCNH2HRH1OPRK1ADORA3CNR1
SCHEMBL9720751 0.93 KCNH2 (0.71) KCNH2HRH1OPRK1ADORA3CNR1
SCHEMBL1569388 0.89 KCNH2 (0.70) KCNH2HRH1OPRK1ADORA3CNR1
Buclizine SCHEMBL22171621 0.89 KCNH2 (1.00) KCNH2HRH1OPRK1ADORA3CNR1
Buclizine SCHEMBL123752 0.89 KCNH2 (1.00) KCNH2HRH1OPRK1ADORA3CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350031-B2 Processes for the synthesis of levocetirizine and intermediates for use therein CIPLA LIMITED (IN) 2013-01-08 US disclosed
US-20110184174-A1 Processes for the Synthesis of Levocetirizine and Intermediates for Use Therein CIPLA LIMITED (IN) 2011-07-28 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 (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-20110184174-A1 Processes for the Synthesis of Levocetirizine and Intermediates for Use Therein CYP3A5, CYP4A11, IL5 KCNH2 1377/4885HRH1 82/4885OPRK1 625/4885

“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.