SCHEMBL1199883

SCHEMBL1199883

C1=NCC(c2cc3ccccc3[nH]2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.36
SLC6A3 Q01959 3/20 0.34
SLC6A4 P31645 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34
CHRNA7 P36544 1/20 0.34
HTR7 P34969 1/20 0.34
ADRA1B P35368 1/20 0.34
VCP P55072 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3640169 0.79 AOC3 (0.44) AOC3NPC1RAB9AHTR7ADRA1B
SCHEMBL73543 0.78 AOC3 (0.47) AOC3SLC6A3SLC6A4NPC1RAB9A
SCHEMBL10441226 0.77 AOC3 (0.42) AOC3NPC1RAB9AHTR7ADRA1B
SCHEMBL3915604 0.76 VCP (0.39) AOC3SLC6A3SLC6A4NPC1RAB9A
SCHEMBL5584506 0.74 AOC3 (0.40) AOC3SLC6A3SLC6A4NPC1RAB9A
SCHEMBL5667289 0.73 AOC3 (0.36) AOC3SLC6A3SLC6A4NPC1RAB9A
SCHEMBL1237690 0.72 MAOB (0.49) AOC3SLC6A3SLC6A4HRH3HTR7
SCHEMBL29688552 0.72 MAOB (0.49) AOC3SLC6A3SLC6A4HRH3HTR7
SCHEMBL2467564 0.71 HTR2A (0.49)
SCHEMBL7968720 0.70 HTR2A (0.47) AOC3SLC6A3SLC6A4NPC1RAB9A

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044136-A1 Pyridinoylpiperidines As 5-HT1F Agonists LILLY CO ELI (US) 2017-02-16 US disclosed
US-20150376178-A1 Pyridinoylpiperidines As 5-HT1F Agonists ELI LILLY AND COMPANY 2015-12-31 US disclosed
US-8748459-B2 Pyridinoylpiperidines as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2014-06-10 US disclosed
US-8697876-B2 Compositions and methods of synthesis of pyridinolypiperidine 5-HT1F agonists COLUCID PHARMACEUTICALS, INC. (US) 2014-04-15 US disclosed
US-20130072524-A1 Compositions And Methods Of Synthesis Of Pyridinolypiperidine 5-HT1F Agonists APTUIT (EDINBURGH) LTD. (GB) 2013-03-21 US disclosed
US-20120329820-A1 Pyridinoylpiperidines As 5-HT1F Agonists ELI LILLY AND COMPANY (US) 2012-12-27 US disclosed
EP-1626958-B1 (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT 1F AGONISTS LILLY CO ELI (US) 2012-06-27 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-8044207-B2 Pyridinoylpiperidines as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2011-10-25 US disclosed
WO-2011123654-A1 COMPOSITIONS AND METHODS OF SYNTHESIS OF PYRIDINOYLPIPERIDINE 5-HT1F AGONISTS COLUCID PHARMACEUTICALS, INC. (US) 2011-10-06 WO disclosed
EP-1663971-A1 SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS Eli Lilly and Company (US) 2006-06-07 EP disclosed
EP-1626958-A1 (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT 1F AGONISTS ELI LILLY AND COMPANY (US) 2006-02-22 EP disclosed
US-20050222206-A1 Pyridinoylpiperidines as 5-ht1f agonists ELI LILLY AND COMPANY 2005-10-06 US disclosed
WO-2005061439-A1 SUBSTITUTED (4-AMINOCYCLOHEXEN-1-YL)PHENYL AND (4-AMINOCYCLOHEXEN-1-YL)PYRIDINYL COMPOUNDS AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2005-07-07 WO disclosed
WO-2005035499-A1 SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2005-04-21 WO disclosed
EP-1492786-A1 PYRIDINOYLPIPERIDINES AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2005-01-05 EP disclosed
WO-2004094380-A1 (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 WO disclosed
WO-2003084949-A1 PYRIDINOYLPIPERIDINES AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2003-10-16 WO disclosed
EP-0071521-B1 PYRID-3-YL OR PIPERIDIN-3-YL-OXO-2-INDOLE DERIVATIVES, THEIR SALTS, PROCESS FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USES AS MEDICINES ROUSSEL-UCLAF (FR) 1985-12-04 EP disclosed
EP-0071520-B1 3-PIPERIDINYLINDOLE DERIVATIVES, THEIR SALTS AND PREPARATION, THEIR USE IN MEDICINES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1985-09-04 EP 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 (5 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-20120329820-A1 Pyridinoylpiperidines As 5-HT1F Agonists HTR1F, HTR1A, HTR1E AOC3 679/4885SLC6A3 270/4885SLC6A4 64/4885
US-20130072524-A1 Compositions And Methods Of Synthesis Of Pyridinolypiperidine 5-HT1F Agonists HTR1F, HTR1A, HTR1D AOC3 3478/4885SLC6A3 1125/4885SLC6A4 89/4885
US-20170044136-A1 Pyridinoylpiperidines As 5-HT1F Agonists HTR1F, HTR1A, HTR1E AOC3 679/4885SLC6A3 270/4885SLC6A4 64/4885
US-20050222206-A1 Pyridinoylpiperidines as 5-ht1f agonists HTR1F, HTR1A, HTR1E AOC3 679/4885SLC6A3 270/4885SLC6A4 64/4885
US-20150376178-A1 Pyridinoylpiperidines As 5-HT1F Agonists HTR1F, HTR1A, HTR1E AOC3 679/4885SLC6A3 270/4885SLC6A4 64/4885

“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.