SCHEMBL1198192

SCHEMBL1198192

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
OPRL1 P41146 3/20 0.45
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GHSR Q92847 1/20 0.40
MITF O75030 1/20 0.39
SSTR4 P31391 2/20 0.37
CFD P00746 2/20 0.36
CASR P41180 2/20 0.36

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
SCHEMBL26599004 0.89 CFD (0.40) ALDH1A1KMT2ACFD
SCHEMBL30606567 0.89 CFD (0.40) ALDH1A1KMT2ACFD
SCHEMBL26599214 0.86 GAA (0.49) OPRL1POLBMEN1KMT2ACFD
SCHEMBL30606572 0.86 GAA (0.49) OPRL1POLBMEN1KMT2ACFD
SCHEMBL1197654 0.84 CASR (0.36) ALDH1A1POLBMEN1KMT2ACASR
SCHEMBL19234629 0.79 OPRM1 (0.36) OPRL1CFDCASR
SCHEMBL1196651 0.74 POLB (0.50) ALDH1A1OPRL1POLBKMT2ASSTR4
SCHEMBL8263707 0.73 L3MBTL1 (0.49) OPRL1KMT2A
SCHEMBL5987343 0.72 GAA (0.46) ALDH1A1OPRL1POLBMEN1KMT2A
SCHEMBL4220278 0.72 GAA (0.46) OPRL1KMT2ASSTR4

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 ALDH1A1 1980/4885OPRL1 25/4885POLB 3784/4885
US-20110034511-A1 SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS HTR1F, HTR1A, HTR3B ALDH1A1 2051/4885OPRL1 24/4885POLB 3309/4885
US-20070270466-A1 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-HT1F agonists HTR1F, HTR1A, HTR3B ALDH1A1 2051/4885OPRL1 24/4885POLB 3309/4885

“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.