SCHEMBL14158496

SCHEMBL14158496

CC1(C(F)(F)F)OCc2ccc(O)cc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.40
PDK2 Q15119 2/20 0.38
OPRD1 P41143 5/20 0.36
OPRK1 P41145 5/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP2D6 P10635 1/20 0.34
TACR1 P25103 1/20 0.34
MRGPRX2 Q96LB1 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
POLA1 P09884 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33

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
SCHEMBL16661512 0.79 PDK2 (0.40) OPRM1PDK2OPRD1OPRK1ESR1
SCHEMBL17591321 0.78 PDK2 (0.42) PDK2ESR1ESR2CYP2D6TACR1
SCHEMBL28093369 0.77 ESR2 (0.40) PDK2ESR2LMNA
SCHEMBL9727613 0.77 OPRM1 (0.41) OPRM1OPRD1OPRK1ESR1ESR2
SCHEMBL6401424 0.76 ESR2 (0.41) OPRM1PDK2ESR1ESR2TACR1
SCHEMBL6401576 0.76 ESR2 (0.41) OPRM1PDK2ESR1ESR2TACR1
SCHEMBL6402105 0.76 ESR2 (0.41) OPRM1PDK2ESR1ESR2TACR1
SCHEMBL17591319 0.74 OPRM1 (0.39) OPRM1OPRD1OPRK1ESR1ESR2
SCHEMBL16661509 0.71 PDK2 (0.33) PDK2ALDH1A1LMNACYP3A4
SCHEMBL6403193 0.70 PDK2 (0.41) PDK2ESR1ESR2CYP2D6TACR1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718285-B1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LTD (GB) 2016-03-16 EP claimed
US-20140107139-A1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2014-04-17 US claimed
WO-2013182850-A1 ISOBENZOFURAN- 5 -YL-OXY- (HETERO) ARYL - IMIDAZOLIDINE - 2, 4 -DIONE DERIVATIVES MODULATORS OF KV3 POTASSIUM CHANNELS FOR THE TREATMENT OF CNS DISORDERS. AUTIFONY THERAPEUTICS LIMITED (GB) 2013-12-12 WO claimed
EP-3386506-B1 MODULATORS OF KV3 CHANNELS TO TREAT PAIN AUTIFONY THERAPEUTICS LTD (GB) 2024-01-24 EP disclosed
US-20220071998-A1 MODULATORS OF KV3 CHANNELS TO TREAT PAIN AUTIFONY THERAPEUTICS LIMITED (GB) 2022-03-10 US disclosed
US-11180461-B2 Triazoles as Kv3 inhibitors AUTIFONY THERAPEUTICS LIMITED (GB) 2021-11-23 US disclosed
US-11180461-B2 Triazoles as Kv3 inhibitors AUTIFONY THERAPEUTICS LIMITED (GB) 2021-11-23 US disclosed
US-11147813-B2 Modulators of KV3 channels to treat pain AUTIFONY THERAPEUTICS LIMITED (GB) 2021-10-19 US disclosed
EP-2852589-B1 TRIAZOLES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LTD (GB) 2021-04-28 EP disclosed
EP-2852589-B1 TRIAZOLES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LTD (GB) 2021-04-28 EP disclosed
US-20200172496-A1 TRIAZOLES AS KV3 INHIBITORS AUTIFONY SRL (IT) 2020-06-04 US disclosed
US-20150111910-A1 TRIAZOLES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2015-04-23 US disclosed
US-20150111910-A1 TRIAZOLES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2015-04-23 US disclosed
US-20140107139-A1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2014-04-17 US disclosed
US-20140107139-A1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2014-04-17 US disclosed
US-20140107139-A1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2014-04-17 US disclosed
EP-2718285-A1 HYDANTOIN DERIVATES AS KV3 INHIBITORS Autifony Therapeutics Limited (GB) 2014-04-16 EP disclosed
WO-2013182850-A1 ISOBENZOFURAN- 5 -YL-OXY- (HETERO) ARYL - IMIDAZOLIDINE - 2, 4 -DIONE DERIVATIVES MODULATORS OF KV3 POTASSIUM CHANNELS FOR THE TREATMENT OF CNS DISORDERS. AUTIFONY THERAPEUTICS LIMITED (GB) 2013-12-12 WO disclosed
WO-2012168710-A1 HYDANTOIN DERIVATES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2012-12-13 WO disclosed
WO-2012168710-A1 HYDANTOIN DERIVATES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2012-12-13 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 (6 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-20150111910-A1 TRIAZOLES AS KV3 INHIBITORS KCNA3, KCNN3, KCNK3 OPRM1 2587/4885PDK2 633/4885OPRD1 1238/4885
US-11147813-B2 Modulators of KV3 channels to treat pain KCNN3, KCNA3, KCND3 OPRM1 173/4885PDK2 2160/4885OPRD1 149/4885
US-20200172496-A1 TRIAZOLES AS KV3 INHIBITORS KCNA3, KCNN3, KCNK3 OPRM1 2587/4885PDK2 633/4885OPRD1 1238/4885
US-11180461-B2 Triazoles as Kv3 inhibitors KCNA3, KCNN3, KCNK3 OPRM1 2587/4885PDK2 633/4885OPRD1 1238/4885
US-20220071998-A1 MODULATORS OF KV3 CHANNELS TO TREAT PAIN KCNN3, KCNA3, KCND3 OPRM1 175/4885PDK2 2110/4885OPRD1 152/4885
US-20140107139-A1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS KCNA3, KCND3, KCNN3 OPRM1 1522/4885PDK2 832/4885OPRD1 1011/4885

“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.