SCHEMBL1197239

SCHEMBL1197239

CN1CCC(N(C)c2cc(F)cc(NC(=O)c3ccc(F)cc3Cl)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 8/20 0.54
HPGD P15428 1/20 0.45
WDR5 P61964 1/20 0.44
MAPK7 Q13164 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.42
ENPP2 Q13822 2/20 0.40
ACKR3 P25106 1/20 0.40
HTR2A P28223 1/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL1198432 0.93 RAB9A (0.52) HTR1FMAPK7RAB9ANPC1HTR1A
SCHEMBL12020891 0.91 HTR1F (0.51) HTR1FHPGDWDR5MAPK7RAB9A
SCHEMBL12020933 0.90 HTR1F (0.46) HTR1FWDR5MAPK7RAB9AHTR2A
SCHEMBL12878337 0.90 HTR1F (0.51) HTR1FMAPK7RAB9ANPC1ACKR3
SCHEMBL12020918 0.89 HTR1F (0.55) HTR1FHPGDWDR5MAPK7RAB9A
Hydrochloric Acid SCHEMBL1197873 0.88 HTR1F (0.54) HTR1FHPGDWDR5MAPK7RAB9A
SCHEMBL1197259 0.85 HTR1F (0.44) HTR1FMAPK7HTR1AHTR1DHTR1B
SCHEMBL12020811 0.84 HTR1F (0.64) HTR1FHTR1AHTR1DHTR1B
SCHEMBL1198177 0.83 F10 (0.43) HTR1FMAPK7
SCHEMBL1198122 0.82 TLR7 (0.49) HTR1FMAPK7RAB9ANPC1HTR1D

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 16 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
CN-1849307-B Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-ht1f agonists LILLY CO ELI 2011-08-03 CN 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
CN-1849307-A As 5-HT1FSubstituted 2-carbonylamino-6-agonistsPiperidinylaminopyridines and substituted 1-carbonylamino-3-piperidinylaminophenyls LILLY CO ELI (US) 2006-10-18 CN 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 1/4885HPGD 2571/4885WDR5 3385/4885
US-20110034511-A1 SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS HTR1F, HTR1A, HTR3B HTR1F 1/4885HPGD 3097/4885WDR5 3561/4885
US-20070270466-A1 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-HT1F agonists HTR1F, HTR1A, HTR3B HTR1F 1/4885HPGD 3097/4885WDR5 3561/4885

“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.