SCHEMBL698418

SCHEMBL698418

CN(Cc1ccccc1)C(=O)OCCl

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.60
CHRNB4 P30926 1/20 0.60
CHRNA3 P32297 1/20 0.60
CHRNA4 P43681 1/20 0.60
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.49
RIPK1 Q13546 1/20 0.49
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL9506390 0.84 RAB9A (0.62) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL13687204 0.84 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL696682 0.83 TAAR1 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL15632982 0.83 NPC1 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL23153207 0.83 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL2182432 0.82 LMNA (0.49) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL25787612 0.82 ALDH1A1 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL17549816 0.81 CHRNB2 (0.67) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL23805545 0.81 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL2095210 0.80 NPC1 (0.67) CHRNB2CHRNB4CHRNA3CHRNA4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US claimed
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS PIVOT HOLDING LLC 2014-05-01 US claimed
EP-2693876-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS Sphaera Pharma Pte. Ltd (SG) 2014-02-12 EP claimed
WO-2012137225-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-10-11 WO claimed
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US disclosed
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US disclosed
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US disclosed
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS PIVOT HOLDING LLC 2014-05-01 US disclosed
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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 (5 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CHRNB2 3898/4885CHRNB4 4073/4885CHRNA3 2683/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CHRNB2 3898/4885CHRNB4 4073/4885CHRNA3 2683/4885
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS TPMT, BHMT2, PFAS CHRNB2 4491/4885CHRNB4 4531/4885CHRNA3 4626/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CHRNB2 3898/4885CHRNB4 4073/4885CHRNA3 2683/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CHRNB2 3898/4885CHRNB4 4073/4885CHRNA3 2683/4885

“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.