SCHEMBL1197628

SCHEMBL1197628

CN1CCC(N(C)c2cc(F)cc(NC(=O)c3c(F)cccc3F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 7/20 0.48
CHRM5 P08912 1/20 0.48
DRD5 P21918 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1E P28566 1/20 0.48
HTR7 P34969 1/20 0.48
OPRK1 P41145 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
TRPA1 O75762 4/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR1A P08908 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2B P41595 1/20 0.41
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK7 Q13164 1/20 0.40
SETD2 Q9BYW2 1/20 0.40
NR1I2 O75469 1/20 0.40

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
SCHEMBL1198122 0.93 TLR7 (0.49) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL1198316 0.92 HTR1F (0.49) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL12020775 0.89 RAB9A (0.47) HTR1FCHRM5DRD5HTR1DHTR1E
Hydrochloric Acid SCHEMBL1197532 0.88 RAB9A (0.46) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL12020765 0.87 HTR1F (0.53) HTR1FCHRM5DRD5HTR1DHTR1E
Hydrochloric Acid SCHEMBL1197649 0.86 HTR1F (0.52) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL12020811 0.85 HTR1F (0.64) HTR1FHTR1DHTR1AHTR1B
SCHEMBL1197035 0.84 HTR1F (0.53) HTR1FHTR1DTRPA1HTR1AHTR1B
SCHEMBL12878337 0.84 HTR1F (0.51) HTR1FHTR1DHTR1AHTR1BRAB9A
SCHEMBL1197259 0.83 HTR1F (0.44) HTR1FHTR1DHTR1AHTR1BMAPK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663971-B1 SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS LILLY CO ELI (US) 2011-12-21 EP disclosed
EP-1663971-B1 SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS LILLY CO ELI (US) 2011-12-21 EP disclosed
US-20110034511-A1 SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2011-02-10 US disclosed
US-20110034511-A1 SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2011-02-10 US disclosed
US-20110034511-A1 SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2011-02-10 US disclosed
US-7803813-B2 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2010-09-28 US disclosed
US-7803813-B2 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2010-09-28 US disclosed
US-7803813-B2 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2010-09-28 US disclosed
US-20070270466-A1 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-HT1F agonists ELI LILLY AND COMPANY 2007-11-22 US disclosed
US-20070270466-A1 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-HT1F agonists ELI LILLY AND COMPANY 2007-11-22 US disclosed
US-20070270466-A1 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-HT1F agonists ELI LILLY AND COMPANY 2007-11-22 US disclosed
US-7291632-B2 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7291632-B2 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7291632-B2 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-20060287363-A1 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-ht 1f agonists ELLI LILLY AND COMPANY (US) 2006-12-21 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 (3 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-20060287363-A1 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-ht 1f agonists HTR1F, HTR1A, HTR3B HTR1F 1/4885CHRM5 288/4885DRD5 772/4885
US-20110034511-A1 SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS HTR1F, HTR1A, HTR3B HTR1F 1/4885CHRM5 295/4885DRD5 649/4885
US-20070270466-A1 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-HT1F agonists HTR1F, HTR1A, HTR3B HTR1F 1/4885CHRM5 295/4885DRD5 649/4885

“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.