SCHEMBL2535010

SCHEMBL2535010

O=C(N1CCCCC1)C1(Cl)C=CC=CN1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.36
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL2536281 0.77 HSD11B1 (0.35) HSD11B1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL2537166 0.77 HSD11B1 (0.35) HSD11B1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL5667873 0.70
SCHEMBL5735086 0.70
SCHEMBL978922 0.70
SCHEMBL28257312 0.69
SCHEMBL28350741 0.67
SCHEMBL10753033 0.61 LMNA (0.37) KMT2AMEN1SMN1; SMN2RAB9APOLB
SCHEMBL5081007 0.56 SMN1; SMN2 (0.65) HSD11B1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL17608785 0.56

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 12 patents. 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-20120329820-A1 Pyridinoylpiperidines As 5-HT1F Agonists ELI LILLY AND COMPANY (US) 2012-12-27 US disclosed
US-8044207-B2 Pyridinoylpiperidines as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2011-10-25 US disclosed
US-20090209563-A1 Pyridinoylpiperidines as 5-HT1F agonists ELI LILLY AND COMPANY 2009-08-20 US disclosed
US-20080300407-A1 Pyridinoylpiperidines as 5-HT1F agonists ELI LILLY AND COMPANY (IN) 2008-12-04 US disclosed
US-7423050-B2 Pyridinoylpiperidines as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2008-09-09 US disclosed
EP-1492786-B1 PYRIDINOYLPIPERIDINES AS 5-HT1F AGONISTS LILLY CO ELI (US) 2006-10-04 EP disclosed
US-20050222206-A1 Pyridinoylpiperidines as 5-ht1f agonists ELI LILLY AND COMPANY 2005-10-06 US disclosed
EP-1492786-A1 PYRIDINOYLPIPERIDINES AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2005-01-05 EP disclosed
WO-2003084949-A1 PYRIDINOYLPIPERIDINES AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2003-10-16 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 (6 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-20080300407-A1 Pyridinoylpiperidines as 5-HT1F agonists HTR1F, HTR1A, HTR1E HSD11B1 3061/4885KMT2A 4705/4885MEN1 496/4885
US-20120329820-A1 Pyridinoylpiperidines As 5-HT1F Agonists HTR1F, HTR1A, HTR1E HSD11B1 3137/4885KMT2A 4700/4885MEN1 490/4885
US-20170044136-A1 Pyridinoylpiperidines As 5-HT1F Agonists HTR1F, HTR1A, HTR1E HSD11B1 3137/4885KMT2A 4700/4885MEN1 490/4885
US-20050222206-A1 Pyridinoylpiperidines as 5-ht1f agonists HTR1F, HTR1A, HTR1E HSD11B1 3137/4885KMT2A 4700/4885MEN1 490/4885
US-20150376178-A1 Pyridinoylpiperidines As 5-HT1F Agonists HTR1F, HTR1A, HTR1E HSD11B1 3137/4885KMT2A 4700/4885MEN1 490/4885
US-20090209563-A1 Pyridinoylpiperidines as 5-HT1F agonists HTR1F, HTR1A, HTR1E HSD11B1 3137/4885KMT2A 4700/4885MEN1 490/4885

“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.