SCHEMBL2533735

SCHEMBL2533735

CC(=O)[N+]1(C(C)=O)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
LMNA P02545 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TP53 P04637 1/20 0.31
BBOX1 O75936 1/20 0.30

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
SCHEMBL12538032 0.86 TSHR (0.31) TSHRCTDSP1BBOX1
SCHEMBL7136765 0.84 CA1 (0.33) TSHRCTDSP1
SCHEMBL11732406 0.71 LMNA (0.33) TSHRCTDSP1LMNAAPOBEC3AAPOBEC3G
SCHEMBL641601 0.71 TSHR (0.32) TSHRCTDSP1
SCHEMBL17102835 0.69
Acetic Acid SCHEMBL21384672 0.67 CA1 (0.47) TSHRCTDSP1LMNAAPOBEC3AAPOBEC3G
Acetic Acid SCHEMBL21382614 0.67 CA1 (0.47) TSHRCTDSP1LMNAAPOBEC3AAPOBEC3G
Cyclohexane SCHEMBL1163673 0.67 LMNA (0.67) TSHRLMNA
Cyclohexane SCHEMBL15266693 0.67 LMNA (0.67) TSHRLMNA
Cyclopentane SCHEMBL8144947 0.67

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 TSHR 506/4885CTDSP1 2922/4885LMNA 1866/4885
US-20120329820-A1 Pyridinoylpiperidines As 5-HT1F Agonists HTR1F, HTR1A, HTR1E TSHR 494/4885CTDSP1 2779/4885LMNA 1767/4885
US-20170044136-A1 Pyridinoylpiperidines As 5-HT1F Agonists HTR1F, HTR1A, HTR1E TSHR 494/4885CTDSP1 2779/4885LMNA 1767/4885
US-20050222206-A1 Pyridinoylpiperidines as 5-ht1f agonists HTR1F, HTR1A, HTR1E TSHR 494/4885CTDSP1 2779/4885LMNA 1767/4885
US-20150376178-A1 Pyridinoylpiperidines As 5-HT1F Agonists HTR1F, HTR1A, HTR1E TSHR 494/4885CTDSP1 2779/4885LMNA 1767/4885
US-20090209563-A1 Pyridinoylpiperidines as 5-HT1F agonists HTR1F, HTR1A, HTR1E TSHR 494/4885CTDSP1 2779/4885LMNA 1767/4885

“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.