SCHEMBL16232155

SCHEMBL16232155

O=C(Cl)[C@@H]1C[C@H]1c1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
GPR88 Q9GZN0 1/20 0.42
MC4R P32245 12/20 0.40
MC5R P33032 4/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KDM1A O60341 2/20 0.40
KDM1B Q8NB78 1/20 0.40
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 0.39
MC3R P41968 3/20 0.38
KCNH2 Q12809 3/20 0.38
MC1R Q01726 2/20 0.38

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
SCHEMBL11902326 0.86 HTR2A (0.49) HTR2AHTR2CHTR2BGPR88MC4R
SCHEMBL15541789 0.86 HTR2A (0.49) HTR2AHTR2CHTR2BGPR88MC4R
SCHEMBL11902614 0.86 HTR2A (0.49) HTR2AHTR2CHTR2BGPR88MC4R
SCHEMBL15541134 0.77 ALDH1A1 (0.48) HTR2AHTR2CHTR2BGPR88MC4R
SCHEMBL13855097 0.77 MC4R (0.61) MC4RMC5RMC3RKCNH2MC1R
SCHEMBL12765396 0.74 SLC9A1 (0.60) HTR2AHTR2CHTR2BKDM1A
SCHEMBL16232154 0.74 SLC9A1 (0.60) HTR2AHTR2CHTR2BKDM1A
SCHEMBL11902519 0.73 HTR2A (0.51) HTR2AHTR2CHTR2BFPR1FPR2
SCHEMBL10288279 0.73 HTR2A (0.51) HTR2AHTR2CHTR2B
SCHEMBL10288453 0.73 HTR2A (0.51) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 US disclosed
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 US disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 US disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 US disclosed
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers MERCK PATENT GMBH (DE) 2014-11-13 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 (3 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-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 HTR2A 1881/4885HTR2C 2143/4885HTR2B 1129/4885
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 HTR2A 1881/4885HTR2C 2143/4885HTR2B 1129/4885
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 HTR2A 1881/4885HTR2C 2143/4885HTR2B 1129/4885

“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.