SCHEMBL12064697

SCHEMBL12064697

Fc1ccc(C(O[C@@H]2CCNC2)c2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.53
SLC6A2 P23975 4/20 0.53
CHRM1 P11229 3/20 0.53
DRD3 P35462 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
HRH1 P35367 1/20 0.53
SLC6A4 P31645 1/20 0.53
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
CHRM3 P20309 1/20 0.51
DRD5 P21918 1/20 0.51
HRH2 P25021 1/20 0.51
ADRA1D P25100 1/20 0.51

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
SCHEMBL12064696 1.00 SLC6A3 (0.53) SLC6A3SLC6A2CHRM1DRD3CYP1A2
SCHEMBL7352950 0.90 CHRM1 (0.50) SLC6A3SLC6A2CHRM1DRD3CYP1A2
SCHEMBL6982214 0.90 SLC6A3 (0.55) SLC6A3SLC6A2CHRM1DRD3CYP1A2
Hydrochloric Acid SCHEMBL11199043 0.88 SLC6A2 (0.56) SLC6A3SLC6A2CHRM1DRD3CYP1A2
SCHEMBL14814326 0.84 SLC6A2 (0.51) SLC6A3SLC6A2CHRM1DRD3CYP1A2
SCHEMBL4186866 0.83 DRD3 (0.53) SLC6A3SLC6A2DRD3CYP1A2CYP2D6
SCHEMBL4179768 0.83 DRD3 (0.53) SLC6A3SLC6A2DRD3CYP1A2CYP2D6
SCHEMBL4179765 0.83 DRD3 (0.53) SLC6A3SLC6A2DRD3CYP1A2CYP2D6
SCHEMBL12064699 0.83 DRD3 (0.51) SLC6A3SLC6A2CHRM1DRD3CYP1A2
SCHEMBL12064952 0.83 DRD3 (0.51) SLC6A3SLC6A2CHRM1DRD3CYP1A2

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
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-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
WO-2011148888-A1 HETEROCYCLIC RING COMPOUND AND H1 RECEPTOR ANTAGONIST あすか製薬株式会社 (JP) 2011-12-01 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-20130085127-A1 HETEROCYCLIC COMPOUND AND H1 RECEPTOR ANTAGONIST HRH2, HRH4, HRH1 SLC6A3 3695/4885SLC6A2 2688/4885CHRM1 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.