SCHEMBL1665632

SCHEMBL1665632

CC(=O)OCC1CCCN1C(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRNB2 P17787 5/20 0.40
CHRNA4 P43681 5/20 0.40
CHRNA7 P36544 4/20 0.40
CHRNA5 P30532 2/20 0.40
RAB9A P51151 1/20 0.38
KCNK3 O14649 1/20 0.36
DPP4 P27487 3/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL1665629 1.00 POLB (0.41) POLBL3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL3055321 0.83 HDAC8 (0.47) POLBL3MBTL1RAB9ADPP4DPP8
SCHEMBL5010838 0.83 RAB9A (0.38) POLBL3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL5010836 0.83 RAB9A (0.38) POLBL3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL28063604 0.80 CHRNB2 (0.38) POLBL3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL16285121 0.80 BTK (0.39) POLBL3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL18710560 0.78 HSD17B10 (0.45) L3MBTL1
SCHEMBL12987931 0.78 POLB (0.44) POLBL3MBTL1RAB9ADPP4DPP8
SCHEMBL24578244 0.77 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL20869642 0.77 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA7CHRNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493905-B1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT CO LLC (PR) 2016-11-30 EP disclosed
US-8822435-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2014-09-02 US disclosed
US-20140194389-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2014-07-10 US disclosed
US-8710215-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2014-04-29 US disclosed
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2013-02-07 US disclosed
US-8314081-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2012-11-20 US disclosed
EP-2493905-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS Warner Chilcott Company, LLC (PR) 2012-09-05 EP disclosed
WO-2011056589-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT COMPANY, LLC (US) 2011-05-12 WO disclosed
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2011-04-28 US 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-20140194389-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN POLB 2835/4885L3MBTL1 4278/4885CHRNB2 4829/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN POLB 2835/4885L3MBTL1 4278/4885CHRNB2 4829/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN POLB 2835/4885L3MBTL1 4278/4885CHRNB2 4829/4885

“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.