SCHEMBL249435

SCHEMBL249435

CCC(Cc1cccc(C(F)(F)F)c1)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.59
HTR2B P41595 3/20 0.59
HTR2C P28335 2/20 0.59
EPHX1 P07099 10/20 0.58
ADRA2C P18825 2/20 0.52
SLC6A4 P31645 2/20 0.52
ADRA1A P35348 2/20 0.52
DRD3 P35462 2/20 0.52
SIGMAR1 Q99720 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
OPRK1 P41145 1/20 0.52
PPARA Q07869 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.47
MAOB P27338 1/20 0.47
ACP3 P15309 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
NR1I2 O75469 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46

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
SCHEMBL5095202 0.87 PPARA (0.64) HTR2AHTR2BHTR2CADRA2CSLC6A4
Hydrochloric Acid SCHEMBL5095405 0.86 PPARA (0.63) HTR2AHTR2BHTR2CADRA2CSLC6A4
SCHEMBL5095404 0.86 HTR2A (0.55) HTR2AHTR2BHTR2CEPHX1ADRA2C
SCHEMBL28410553 0.83 FOLH1 (0.46) SIGMAR1CYP1A2
SCHEMBL28268263 0.83 PPARA (0.53) HTR2AHTR2BHTR2CEPHX1ADRA2C
SCHEMBL15881786 0.82 HTR2A (0.67) HTR2AHTR2BHTR2CEPHX1ADRA2C
SCHEMBL27274983 0.82 HTR2A (0.67) HTR2AHTR2BHTR2CEPHX1ADRA2C
SCHEMBL27740625 0.82 EPHX1 (0.62) HTR2AHTR2BHTR2CEPHX1ADRA2C
SCHEMBL11743685 0.80 HTR2A (0.55) HTR2AHTR2BHTR2CEPHX1ADRA2C
SCHEMBL1816528 0.78 HTR2A (0.56) HTR2AHTR2BHTR2CEPHX1ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153667-A Novel potassium channel inhibitor 阿塞西翁制药公司 2019-01-04 CN disclosed
CN-103781763-B Amine derivatives as potassium channel blockers 生态学有限公司 2017-03-22 CN disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
US-20100004252-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT AND/OR INHIBITION OF PAIN GRUENENTHAL GMBH (DE) 2010-01-07 US disclosed
US-7625900-B2 Sutstituted tetrahydropyrrolopyrazine compounds and the use thereof in the treatment and/or inhibition of pain GRUENENTHAL GMBH (DE) 2009-12-01 US disclosed
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain GRUENENTHAL GMBH (DE) 2008-07-10 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 (2 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-20100004252-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT AND/OR INHIBITION OF PAIN KCNQ2, KCNQ1, KCNJ2 HTR2A 477/4885HTR2B 523/4885HTR2C 296/4885
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain KCNQ2, KCNQ1, KCNJ2 HTR2A 477/4885HTR2B 523/4885HTR2C 296/4885

“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.