SCHEMBL1197654

SCHEMBL1197654

CC(NC1CCN(C)CC1)c1cccc(N)c1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.36
POLB P06746 1/20 0.36
SOS1 Q07889 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1198192 0.84 ALDH1A1 (0.45) CASRPOLBALDH1A1MEN1KMT2A
SCHEMBL1197726 0.74 KDM4E (0.45) POLBALDH1A1GAA
SCHEMBL4220278 0.72 GAA (0.46) KMT2AGAAL3MBTL1
SCHEMBL1198098 0.71 ALDH1A1 (0.42) POLBADRB2ADRB1ADRB3ALDH1A1
SCHEMBL31174638 0.71 GAA (0.40) CASRADRB2GAAL3MBTL1
SCHEMBL26599004 0.71 CFD (0.40) SOS1ADRB2ALDH1A1KMT2AGAA
SCHEMBL26598995 0.71 GAA (0.40) CASRADRB2GAAL3MBTL1
SCHEMBL30606567 0.71 CFD (0.40) SOS1ADRB2ALDH1A1KMT2AGAA
SCHEMBL4214716 0.70 GAA (0.69) POLBMEN1KMT2AGAAL3MBTL1
SCHEMBL1197655 0.69 OPRL1 (0.44) ADRB2ADRB1ADRB3ALDH1A1MEN1

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-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-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
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
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

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 CASR 561/4885POLB 3784/4885SOS1 4198/4885
US-20110034511-A1 SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS HTR1F, HTR1A, HTR3B CASR 558/4885POLB 3309/4885SOS1 4269/4885
US-20070270466-A1 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-HT1F agonists HTR1F, HTR1A, HTR3B CASR 558/4885POLB 3309/4885SOS1 4269/4885

“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.