SCHEMBL2535622

SCHEMBL2535622

COCNC(=O)C1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.57
GNAO1 P09471 1/20 0.57
GNAI1 P63096 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
EPHX2 P34913 1/20 0.45
POLB P06746 1/20 0.44
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
TSHR P16473 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42

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
SCHEMBL1342010 0.86
Tert-Butyl Formate SCHEMBL28134079 0.85 SMN1; SMN2 (0.46) GNAI3GNAO1GNAI1SMN1; SMN2ALDH1A1
SCHEMBL1341778 0.82 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1EPHX2HSD17B10NAAA
SCHEMBL28248140 0.82 CHRNB2 (0.42) GNAI3GNAO1GNAI1SMN1; SMN2ALDH1A1
SCHEMBL1340685 0.82 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HSD17B10NAAAEPHX1
SCHEMBL1438746 0.82 GNAI3 (0.58) GNAI3GNAO1GNAI1SMN1; SMN2ALDH1A1
SCHEMBL1341403 0.81 NAAA (0.56) SMN1; SMN2EPHX2HSD17B10NAAAEPHX1
SCHEMBL1438738 0.81 GNAI3 (0.53) GNAI3GNAO1GNAI1SMN1; SMN2ALDH1A1
SCHEMBL1018964 0.80 GNAI3 (0.64) GNAI3GNAO1GNAI1SMN1; SMN2ALDH1A1
SCHEMBL2324315 0.80 GNAI3 (0.63) GNAI3GNAO1GNAI1SMN1; SMN2ALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105392784-B Oxoquinazolinyl-Butanamide Derivatives 默克专利股份公司 2018-10-09 CN disclosed
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
CN-100352817-C Pyridinoylpiperidines as 5-HTLF agonists LILLY CO ELI (US) 2007-12-05 CN 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
CN-1642939-A As 5-HT1FPyridylpiperidines as agonists LILLY CO ELI (US) 2005-07-20 CN 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 GNAI3 726/4885GNAO1 733/4885GNAI1 680/4885
US-20120329820-A1 Pyridinoylpiperidines As 5-HT1F Agonists HTR1F, HTR1A, HTR1E GNAI3 703/4885GNAO1 720/4885GNAI1 681/4885
US-20170044136-A1 Pyridinoylpiperidines As 5-HT1F Agonists HTR1F, HTR1A, HTR1E GNAI3 703/4885GNAO1 720/4885GNAI1 681/4885
US-20050222206-A1 Pyridinoylpiperidines as 5-ht1f agonists HTR1F, HTR1A, HTR1E GNAI3 703/4885GNAO1 720/4885GNAI1 681/4885
US-20150376178-A1 Pyridinoylpiperidines As 5-HT1F Agonists HTR1F, HTR1A, HTR1E GNAI3 703/4885GNAO1 720/4885GNAI1 681/4885
US-20090209563-A1 Pyridinoylpiperidines as 5-HT1F agonists HTR1F, HTR1A, HTR1E GNAI3 703/4885GNAO1 720/4885GNAI1 681/4885

“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.