Sugi Predict

Sugi Predict / Compounds / SCHEMBL378120

SCHEMBL378120

SCHEMBL378120

CC([O])N1CCN(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.41
▸ CHRM2 P08172 3/20 0.38
▸ CHRM1 P11229 3/20 0.38
▸ ADRA2A P08913 2/20 0.38
▸ DRD1 P21728 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL5241067 0.87 — —
SCHEMBL4365463 0.79 CHRNA7 (0.37) KCNH2CYP2D6KDM4EHRH3MAPT
SCHEMBL5720551 0.75 MC4R (0.44) MC4RCHRM2CHRM1ADRA2ADRD1
SCHEMBL194338 0.75 — —
SCHEMBL16316010 0.75 MC4R (0.44) MC4RCHRM2CHRM1ADRA2ADRD1
SCHEMBL5244018 0.75 — —
SCHEMBL81580 0.75 MC4R (0.44) MC4RCHRM2CHRM1ADRA2ADRD1
SCHEMBL22753497 0.75 MC4R (0.44) MC4RCHRM2CHRM1ADRA2ADRD1
SCHEMBL20906905 0.75 MC4R (0.44) MC4RCHRM2CHRM1ADRA2ADRD1
SCHEMBL1699772 0.75 MC4R (0.44) MC4RCHRM2CHRM1ADRA2ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111514123-A Application of ketorolac analogue in resisting virus infection 江苏伯克生物医药股份有限公司 2020-08-11 — — CN claimed
US-20170029409-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2017-02-02 — — US claimed
US-9499522-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2016-11-22 — — US claimed
EP-2970231-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS KIT MODULATORS Blueprint Medicines Corporation (US) 2016-01-20 — — EP claimed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 — — US claimed
US-20140296206-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2014-10-02 — — US claimed
WO-2014160521-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS KIT MODULATORS BLUEPRINT MEDICINES CORPORATION (US) 2014-10-02 — — WO claimed
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 — — US claimed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 — — US claimed
EP-2408454-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-01-25 — — EP claimed
EP-1664023-A1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 — — EP claimed
EP-1664027-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 — — EP claimed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 — — EP claimed
WO-2005070900-A1 N-4-(6- (HETEO) ARYL-PYRIMIDIN-4-YLAMINOPHENYL) -BEZENESULFONAMIDES AS KINASE INHIBITORS ALTANA PHARMA AG (DE) 2005-08-04 — — WO claimed
WO-2005021533-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 — — WO claimed
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. 2005-03-10 — — US claimed
WO-2005021532-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 — — WO claimed
US-20050049253-A1 Substituted quinolinone derivatives and methods of use AMGEN INC. 2005-03-03 — — US claimed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 — — US claimed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 — — WO 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 (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-20140296206-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, APC, CKMT1A; CKMT1B MC4R 1466/4885CHRM2 4361/4885CHRM1 4751/4885
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 MC4R 2583/4885CHRM2 3719/4885CHRM1 3845/4885
US-20050049253-A1 Substituted quinolinone derivatives and methods of use NQO1, NQO2, UGT1A1 MC4R 1980/4885CHRM2 3419/4885CHRM1 2954/4885
US-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS MC4R 937/4885CHRM2 3892/4885CHRM1 3553/4885
US-20170029409-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, APC, CKMT1A; CKMT1B MC4R 1466/4885CHRM2 4361/4885CHRM1 4751/4885
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use VHL, DPYD, UGT1A1 MC4R 2764/4885CHRM2 3322/4885CHRM1 2851/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 MC4R 2477/4885CHRM2 659/4885CHRM1 888/4885

“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.