SCHEMBL12020985

SCHEMBL12020985

CN(c1cccc(NC(=O)c2ccc(F)cc2)n1)C1CCN(CC2CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 9/20 0.50
ACKR3 P25106 3/20 0.47
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
DRD2 P14416 2/20 0.46
HTR2B P41595 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1E P28566 1/20 0.40
HTR4 Q13639 1/20 0.40
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
CCR5 P51681 1/20 0.39
S1PR2 O95136 1/20 0.39
MAPT P10636 1/20 0.38

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 SCHEMBL1197813 0.99 HTR1F (0.49) HTR1FACKR3HTR2AHTR2CDRD2
SCHEMBL12020971 0.90 HTR1F (0.54) HTR1FACKR3HTR2AHTR2CHTR1A
SCHEMBL12020757 0.89 HTR1F (0.54) HTR1FACKR3HTR2AHTR2CHTR1A
Hydrochloric Acid SCHEMBL1198073 0.89 HTR1F (0.53) HTR1FACKR3
Hydrochloric Acid SCHEMBL1197510 0.89 HTR1F (0.54) HTR1FACKR3HTR2AHTR2CHTR1A
SCHEMBL12878371 0.87 HTR1F (0.66) HTR1FHTR2AHTR2CSIGMAR1HTR1A
Hydrochloric Acid SCHEMBL5990869 0.86 HTR1F (0.46) HTR1FACKR3HTR2AHTR2CDRD2
Hydrochloric Acid SCHEMBL1198123 0.86 HTR1F (0.64) HTR1FHTR2AHTR2CSIGMAR1HTR1A
SCHEMBL12021069 0.86 HTR1F (0.44) HTR1FACKR3MAPT
Hydrochloric Acid SCHEMBL1197437 0.85 HTR1F (0.44) HTR1FACKR3MAPT

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
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-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 1/4885ACKR3 103/4885HTR2A 28/4885
US-20070270466-A1 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-HT1F agonists HTR1F, HTR1A, HTR3B HTR1F 1/4885ACKR3 103/4885HTR2A 28/4885

“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.