SCHEMBL2118262

SCHEMBL2118262

Fc1ccccc1[CH]c1ccccc1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.68
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
LMNA P02545 1/20 0.43
IKBKB O14920 1/20 0.43
RAF1 P04049 1/20 0.43
RPS6KB1 P23443 1/20 0.43
MAPK1 P28482 1/20 0.43
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
KDR P35968 1/20 0.43
PRKAG1 P54619 1/20 0.43
MAP2K1 Q02750 1/20 0.43
PRKAA1 Q13131 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL6253993 0.85 NFE2L2 (0.52) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3250666 0.84 NFE2L2 (0.64) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2234105 0.81 NFE2L2 (1.00) NFE2L2
SCHEMBL13516946 0.80 NFE2L2 (0.67) NFE2L2
SCHEMBL575116 0.79
SCHEMBL15353049 0.77
SCHEMBL208739 0.77
SCHEMBL21630646 0.77
SCHEMBL3300686 0.77 NFE2L2 (0.48) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL87096 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US claimed
EP-2150550-B1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK BIOPHARMACEUTICALS CO LTD (KR) 2013-02-27 EP claimed
US-20120095007-A2 CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE ANALGESICS SK HOLDINGS CO. LTD. (KR) 2012-04-19 US claimed
EP-2155736-B1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO LTD (KR) 2011-12-21 EP claimed
US-20110195963-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-08-11 US claimed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US claimed
US-20100160331-A1 NOVEL CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO. LTD. (KR) 2010-06-24 US claimed
EP-2155736-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK Holdings Co., Ltd. (KR) 2010-02-24 EP claimed
EP-2150550-A1 NOVEL CARBAMOYLOXY ARYL ALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK Holdings Co., Ltd. (KR) 2010-02-10 EP claimed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
EP-0505014-A2 Novel tetracyclic compounds having anti-allergic and anti-asthmatic activities, their preparation and use Sankyo Company Limited (JP) 1992-09-23 EP claimed
EP-0421823-A2 Novel tetracyclic compounds having anti-allergic and anti-asthmatic activities, their preparation and use Sankyo Company Limited (JP) 1991-04-10 EP claimed
US-4914093-A CARDIOVASCULAR DISORDERS SANKYO COMPANY LIMITED (JP) 1990-04-03 US claimed
EP-0136736-B1 1-(4'-ALKYLTHIOPHENYL)-2-AMINO-1,3-PROPANEDIOL N-SUBSTITUTED DERIVATIVES ZAMBON S.p.A. (IT) 1987-10-28 EP claimed
EP-0136737-B1 1-(4'ALKYLSULFONYLPHENYL)-2-AMINO-1,3-PROPANEDIOL N-SUBSTITUTED DERIVATIVES ZAMBON S.p.A. (IT) 1987-06-16 EP claimed
US-4638003-A CALCIUM ANTAGONIST ZAMBON S.P.A. (IT) 1987-01-20 US claimed
US-4514399-A N-N'substituted polymethylene diamines ADIR (FR) 1985-04-30 US claimed
EP-0136737-A1 1-(4'Alkylsulfonylphenyl)-2-amino-1,3-propanediol N-substituted derivatives ZAMBON S.p.A. (IT) 1985-04-10 EP claimed
EP-0136736-A1 1-(4'-alkylthiophenyl)-2-amino-1,3-propanediol N-substituted derivatives ZAMBON S.p.A. (IT) 1985-04-10 EP claimed
EP-0038564-B1 DIBENZ (B,E) OXEPIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1984-09-12 EP claimed

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-20100160331-A1 NOVEL CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND HTR5A, OPRD1, OPRL1 NFE2L2 639/4885GRIN2D 242/4885GRIN3B 1020/4885
US-20110195963-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND HTR5A, CNR2, CNR1 NFE2L2 775/4885GRIN2D 346/4885GRIN3B 758/4885
US-20120095007-A2 CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE ANALGESICS OPRL1, OPRD1, TRPV1 NFE2L2 216/4885GRIN2D 182/4885GRIN3B 833/4885
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 NFE2L2 3063/4885GRIN2D 303/4885GRIN3B 247/4885

“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.