SCHEMBL9563265

SCHEMBL9563265

COc1ccc(C(OC2CCNCC2)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.51
ADRA2A P08913 2/20 0.51
CHRM1 P11229 2/20 0.51
DRD1 P21728 2/20 0.51
SLC6A2 P23975 2/20 0.51
ADRA1A P35348 2/20 0.51
OPRM1 P35372 2/20 0.51
DRD3 P35462 2/20 0.51
SLC6A3 Q01959 2/20 0.51
KCNH2 Q12809 2/20 0.51
CYP2D6 P10635 2/20 0.51
HTR1A P08908 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
MAPK1 P28482 1/20 0.50
HRH1 P35367 3/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47

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
SCHEMBL9533369 0.94 TDP1 (0.47) CHRM2ADRA2ACHRM1DRD1SLC6A2
Fumaric Acid SCHEMBL9353458 0.90 HRH1 (0.48) CHRM2ADRA2ACHRM1DRD1SLC6A2
SCHEMBL1802062 0.87 DRD3 (0.59) CHRM2ADRA2ACHRM1DRD1SLC6A2
Hydrochloric Acid SCHEMBL2476701 0.86 MAPK1 (0.60) CHRM2ADRA2ACHRM1DRD1SLC6A2
SCHEMBL9352969 0.85 DRD3 (0.54) CHRM2ADRA2ACHRM1DRD1SLC6A2
SCHEMBL9256629 0.82 DRD3 (0.51) CHRM2ADRA2ACHRM1DRD1SLC6A2
Acetic Acid SCHEMBL2472607 0.82 SLC6A2 (0.54) CHRM2ADRA2ACHRM1DRD1SLC6A2
Alcohol SCHEMBL7226806 0.82 SLC6A2 (0.54) CHRM2ADRA2ACHRM1DRD1SLC6A2
SCHEMBL8537416 0.82 DRD3 (0.59) CHRM2ADRA2ACHRM1DRD1SLC6A2
SCHEMBL14814326 0.82 SLC6A2 (0.51) CHRM2ADRA2ACHRM1DRD1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365553-B2 Heterocyclic compound and H1 receptor antagonist ASKA PHARMACEUTICAL CO., LTD. (JP) 2016-06-14 US disclosed
US-9365553-B2 Heterocyclic compound and H1 receptor antagonist ASKA PHARMACEUTICAL CO., LTD. (JP) 2016-06-14 US disclosed
US-9365553-B2 Heterocyclic compound and H1 receptor antagonist ASKA PHARMACEUTICAL CO., LTD. (JP) 2016-06-14 US disclosed
EP-2578569-B1 HETEROCYCLIC RING COMPOUND AND H1 RECEPTOR ANTAGONIST ASKA PHARM CO LTD (JP) 2015-10-28 EP disclosed
EP-2578569-B1 HETEROCYCLIC RING COMPOUND AND H1 RECEPTOR ANTAGONIST ASKA PHARM CO LTD (JP) 2015-10-28 EP disclosed
EP-2578569-A1 HETEROCYCLIC RING COMPOUND AND H1 RECEPTOR ANTAGONIST ASKA Pharmaceutical Co., Ltd. (JP) 2013-04-10 EP disclosed
EP-2578569-A1 HETEROCYCLIC RING COMPOUND AND H1 RECEPTOR ANTAGONIST ASKA Pharmaceutical Co., Ltd. (JP) 2013-04-10 EP disclosed
US-20130085127-A1 HETEROCYCLIC COMPOUND AND H1 RECEPTOR ANTAGONIST ASKA PHARMACEUTICAL CO., LTD (JP) 2013-04-04 US disclosed
US-20130085127-A1 HETEROCYCLIC COMPOUND AND H1 RECEPTOR ANTAGONIST ASKA PHARMACEUTICAL CO., LTD (JP) 2013-04-04 US disclosed
US-20130085127-A1 HETEROCYCLIC COMPOUND AND H1 RECEPTOR ANTAGONIST ASKA PHARMACEUTICAL CO., LTD (JP) 2013-04-04 US disclosed
EP-0529365-A1 Diarylmethoxypiperidine derivatives Kaken Pharmaceutical Co., Ltd. (JP) 1993-03-03 EP disclosed
US-5190959-A Antihistamines, antiallergens, treatment of ischemic heart disease KAKEN PHARMACEUTICAL CO. LTD. (JP) 1993-03-02 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-20130085127-A1 HETEROCYCLIC COMPOUND AND H1 RECEPTOR ANTAGONIST HRH2, HRH4, HRH1 CHRM2 98/4885ADRA2A 30/4885CHRM1 53/4885

“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.