SCHEMBL2532948

SCHEMBL2532948

O=C(c1cccc(Br)n1)N1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNE Q9Y223 1/20 0.66
PTK2 Q05397 1/20 0.49
HPGD P15428 6/20 0.49
NPC1 O15118 5/20 0.47
GLA P06280 1/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 3/20 0.47
HTR2C P28335 1/20 0.46
CNR2 P34972 1/20 0.46
CNR1 P21554 1/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL5237 0.98 GNE (0.68) GNEPTK2HPGDNPC1GLA
SCHEMBL1579475 0.85 GNE (0.55) GNEPTK2HPGDALDH1A1RAB9A
SCHEMBL7159 0.84 IRAK4 (0.50) GNEHPGDNPC1ALDH1A1RAB9A
SCHEMBL30911660 0.84 RAB9A (0.50) GNEHPGDNPC1ALDH1A1RAB9A
SCHEMBL2594231 0.84 GNE (0.50) GNEPTK2HPGDALDH1A1MAPK1
SCHEMBL30911663 0.84 RAB9A (0.50) GNEHPGDNPC1ALDH1A1RAB9A
SCHEMBL10251448 0.84 SIGMAR1 (0.50) GNEMAPK1SMN1; SMN2USP2L3MBTL1
SCHEMBL1554586 0.84 RAB9A (0.50) GNEHPGDNPC1ALDH1A1RAB9A
SCHEMBL2966464 0.82 HRH3 (0.58) GNEALDH1A1SMN1; SMN2LMNA
SCHEMBL2967807 0.82 HRH3 (0.58) GNEL3MBTL1

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 13 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
WO-2014157382-A1 SPHINGOSINE KINASE INHIBITOR 味の素株式会社 (JP) 2014-10-02 WO 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 GNE 4686/4885PTK2 2719/4885HPGD 1110/4885
US-20120329820-A1 Pyridinoylpiperidines As 5-HT1F Agonists HTR1F, HTR1A, HTR1E GNE 4677/4885PTK2 2769/4885HPGD 1113/4885
US-20170044136-A1 Pyridinoylpiperidines As 5-HT1F Agonists HTR1F, HTR1A, HTR1E GNE 4677/4885PTK2 2769/4885HPGD 1113/4885
US-20050222206-A1 Pyridinoylpiperidines as 5-ht1f agonists HTR1F, HTR1A, HTR1E GNE 4677/4885PTK2 2769/4885HPGD 1113/4885
US-20150376178-A1 Pyridinoylpiperidines As 5-HT1F Agonists HTR1F, HTR1A, HTR1E GNE 4677/4885PTK2 2769/4885HPGD 1113/4885
US-20090209563-A1 Pyridinoylpiperidines as 5-HT1F agonists HTR1F, HTR1A, HTR1E GNE 4677/4885PTK2 2769/4885HPGD 1113/4885

“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.