SCHEMBL803653

SCHEMBL803653

CC(C)(C)N1Cc2cccc(F)c2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.36
PARP1 P09874 3/20 0.36
KMT2A Q03164 2/20 0.35
AADAT Q8N5Z0 1/20 0.35
SRD5A1 P18405 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM4 Q14833 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
KCNH2 Q12809 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 1/20 0.33
HTR2B P41595 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
UGCG Q16739 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL803075 0.81 HTR2C (0.43) HTR2CPARP1KMT2AAADATMEN1
SCHEMBL803656 0.81 HTR2C (0.47) HTR2CPARP1KMT2AAADATMEN1
SCHEMBL15869323 0.80 PARP1 (0.36) HTR2CPARP1KMT2AAADATMEN1
SCHEMBL803070 0.80 HTR2A (0.43) HTR2CPARP1AADATHTR2B
SCHEMBL14996499 0.77 PARP1 (0.57) HTR2CPARP1SRD5A1OPRM1OPRK1
SCHEMBL22151642 0.76 HTR2C (0.47) HTR2CPARP1KCNH2HTR2BCA1
SCHEMBL22291890 0.74 UGCG (0.45) PARP1UGCG
SCHEMBL30626060 0.74 PIK3CG (0.32) GRM4PIK3CG
SCHEMBL29123361 0.74 PIK3CG (0.32) GRM4PIK3CG
SCHEMBL22151640 0.73 MAPK1 (0.48) HTR2CKMT2AAADATSRD5A1GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11384063-B2 Modulators of estrogen receptor proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2022-07-12 US disclosed
US-20200199107-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas, Inc. 2020-06-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 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 (7 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN HTR2C 1903/4885PARP1 1255/4885KMT2A 2136/4885
US-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB HTR2C 221/4885PARP1 1694/4885KMT2A 2512/4885
US-11384063-B2 Modulators of estrogen receptor proteolysis and associated methods of use ADRM1, MDM2, ESR2 HTR2C 1817/4885PARP1 3857/4885KMT2A 1680/4885
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 HTR2C 433/4885PARP1 1156/4885KMT2A 3434/4885
US-20200199107-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE ADRM1, MDM2, ESR2 HTR2C 1817/4885PARP1 3857/4885KMT2A 1680/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HTR2C 1903/4885PARP1 1255/4885KMT2A 2136/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 HTR2C 549/4885PARP1 1532/4885KMT2A 2222/4885

“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.