SCHEMBL1197397

SCHEMBL1197397

CN1CCC(NCc2cccc(Cl)c2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.54
ALDH1A1 P00352 2/20 0.49
P2RX7 Q99572 3/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.44
GLA P06280 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.42
BCHE P06276 4/20 0.41
ACHE P22303 4/20 0.41
BACE1 P56817 4/20 0.41
POLB P06746 1/20 0.41
CARM1 Q86X55 2/20 0.41
PRMT6 Q96LA8 2/20 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
SCHEMBL30606515 0.87 GLA (0.53) OPRL1P2RX7MEN1KMT2AHTT
SCHEMBL736271 0.87 GLA (0.53) OPRL1P2RX7MEN1KMT2AHTT
SCHEMBL1197381 0.86 OPRL1 (0.58) OPRL1ALDH1A1P2RX7MEN1KMT2A
SCHEMBL22361741 0.86 OPRL1 (0.47) OPRL1ALDH1A1P2RX7MEN1KMT2A
SCHEMBL30523686 0.86 OPRL1 (0.47) OPRL1ALDH1A1P2RX7MEN1KMT2A
SCHEMBL12061485 0.85 GAA (0.52) OPRL1ALDH1A1P2RX7MEN1KMT2A
SCHEMBL1198098 0.83 ALDH1A1 (0.42) OPRL1ALDH1A1MEN1KMT2AHTT
SCHEMBL1196614 0.83 ALDH1A1 (0.42) OPRL1ALDH1A1MEN1KMT2AHTT
SCHEMBL1197934 0.80 BCHE (0.50) OPRL1ALDH1A1MEN1KMT2ABCHE
SCHEMBL19233357 0.78 P2RX7 (0.49) OPRL1P2RX7HTTGLANPSR1

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 10 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
CN-1849307-B Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-ht1f agonists LILLY CO ELI 2011-08-03 CN 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
CN-1849307-A As 5-HT1FSubstituted 2-carbonylamino-6-agonistsPiperidinylaminopyridines and substituted 1-carbonylamino-3-piperidinylaminophenyls LILLY CO ELI (US) 2006-10-18 CN 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 OPRL1 25/4885ALDH1A1 1980/4885P2RX7 163/4885
US-20110034511-A1 SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS HTR1F, HTR1A, HTR3B OPRL1 24/4885ALDH1A1 2051/4885P2RX7 133/4885
US-20070270466-A1 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-HT1F agonists HTR1F, HTR1A, HTR3B OPRL1 24/4885ALDH1A1 2051/4885P2RX7 133/4885

“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.