SCHEMBL12878366

SCHEMBL12878366

CN1CCC(N(C)c2cccc(NC(=O)c3ccc(F)cc3Cl)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 12/20 0.56
HTR1D P28221 3/20 0.46
CHRM5 P08912 1/20 0.46
DRD5 P21918 1/20 0.46
HTR1E P28566 1/20 0.46
HTR7 P34969 1/20 0.46
OPRK1 P41145 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HTR1A P08908 2/20 0.45
MAPK7 Q13164 1/20 0.44
WDR5 P61964 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.41
HTR1B P28222 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
Hydrochloric Acid SCHEMBL1198027 0.99 HTR1F (0.55) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL12020888 0.91 HTR1F (0.47) HTR1FHPGDMAPT
SCHEMBL27646118 0.91 HTR1F (0.46) HTR1FHPGDALDH1A1MAPTKMT2A
SCHEMBL12021077 0.90 HTR1F (0.54) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL1197874 0.90 HTR1F (0.60) HTR1FHTR1DCHRM5DRD5HTR1E
Hydrochloric Acid SCHEMBL1197923 0.90 HTR1F (0.46) HTR1FHPGDMAPT
SCHEMBL12020804 0.90 HTR1F (0.46) HTR1FHPGDALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL1198146 0.89 HTR1F (0.45) HTR1FHPGDALDH1A1MAPTKMT2A
SCHEMBL12878407 0.89 HTR1F (0.48) HTR1FHTR1DCHRM5DRD5HTR1E
SCHEMBL12021069 0.88 HTR1F (0.44) HTR1FHPGDALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20110034511-A1 SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS HTR1F, HTR1A, HTR3B HTR1F 1/4885HTR1D 9/4885CHRM5 295/4885
US-20070270466-A1 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-HT1F agonists HTR1F, HTR1A, HTR3B HTR1F 1/4885HTR1D 9/4885CHRM5 295/4885

“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.