SCHEMBL6235230

SCHEMBL6235230

CCNc1ccccc1OC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.45
▸ EPHX2 P34913 1/20 0.43
▸ PGK1 P00558 1/20 0.42
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ C1R P00736 1/20 0.40
▸ GBA1 P04062 1/20 0.39
▸ F2R P25116 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ IDH2 P48735 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL6230288 0.86 GAA (0.43) GAAEPHX2DDB1CRBNC1R
SCHEMBL2089818 0.86 ALDH1A1 (0.38) GAAEPHX2IDO1CHRM2ALDH1A1
SCHEMBL2093975 0.82 CHRM2 (0.49) GAAEPHX2DDB1CRBNC1R
SCHEMBL7736582 0.79 GAA (0.43) GAAEPHX2DDB1CRBNC1R
SCHEMBL18622663 0.79 CA12 (0.46) GAAEPHX2DDB1CRBNC1R
SCHEMBL7733811 0.79 GBA1 (0.54) GAAEPHX2DDB1CRBNC1R
SCHEMBL5645988 0.79 GAA (0.49) GAAEPHX2DDB1CRBNC1R
SCHEMBL3192934 0.78 EPHX2 (0.57) GAAEPHX2DDB1CRBNC1R
SCHEMBL23502593 0.77 GAA (0.42) GAAEPHX2DDB1CRBNC1R
SCHEMBL1022424 0.76 CHRM2 (0.58) GAACHRM2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11289238-B2 Compositions for the filling of high aspect ratio vertical interconnect access (VIA) holes HERAEUS PRECIOUS METALS NORTH AMERICA CONSHOHOCKEN LLC (US) 2022-03-29 — — US disclosed
US-20210174983-A1 COMPOSITIONS FOR THE FILLING OF HIGH ASPECT RATIO VERTICAL INTERCONNECT ACCESS (VIA) HOLES HERAEUS PRECIOUS METALS NORTH AMERICA CONSHOHOCKEN LLC 2021-06-10 — — US disclosed
US-9844516-B2 Sigma ligands for use in the prevention and/or treatment of post-operative pain Laboratorios De Dr. Esteve (ES) 2017-12-19 — — US disclosed
US-9789115-B2 Use of sigma ligands in opioid-induced hyperalgesia LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-10-17 — — US disclosed
US-9782483-B2 Sigma ligands for the prevention and/or treatment of emesis induced by chemotherapy or radiotherapy LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2017-10-10 — — US disclosed
US-20130324535-A1 USE OF SIGMA LIGANDS IN BONE CANCER PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-12-05 — — US disclosed
US-20130158033-A1 USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-06-20 — — US disclosed
US-20130109692-A1 SIGMA LIGANDS FOR THE PREVENTION AND/OR TREATMENT OF EMESIS INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-05-02 — — US disclosed
US-20120302568-A1 SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POST-OPERATIVE PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-11-29 — — US disclosed
EP-1530562-A1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME Central Glass Company, Limited (JP) 2005-05-18 — — EP disclosed
WO-2004022521-A1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME CENTRAL GLASS COMPANY, LIMITED (JP) 2004-03-18 — — 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 (4 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-20120302568-A1 SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POST-OPERATIVE PAIN OPRL1, OPRK1, SIGMAR1 GAA 4365/4885EPHX2 1586/4885PGK1 3086/4885
US-20130158033-A1 USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA OPRL1, OPRK1, OPRM1 GAA 3260/4885EPHX2 1002/4885PGK1 3626/4885
US-20130109692-A1 SIGMA LIGANDS FOR THE PREVENTION AND/OR TREATMENT OF EMESIS INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY SIGMAR1, SFN, TMEM97 GAA 1690/4885EPHX2 4177/4885PGK1 4266/4885
US-20130324535-A1 USE OF SIGMA LIGANDS IN BONE CANCER PAIN SIGMAR1, OPRL1, OPRK1 GAA 4190/4885EPHX2 3611/4885PGK1 3118/4885

“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.

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