SCHEMBL2103880

SCHEMBL2103880

CC(C)(C)OC(=O)N1CCC(c2ncc(C=O)s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
HPGDS O60760 1/20 0.44
HPGD P15428 2/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RECQL P46063 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 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
SCHEMBL15376518 0.93 HPGDS (0.46) GPR119KDM4EMAPTTHRBHPGDS
SCHEMBL15001437 0.85 GPR119 (0.49) GPR119KDM4EMAPTTHRBHPGDS
SCHEMBL12810930 0.84 GPR119 (0.48) GPR119KDM4EMAPTTHRBHPGDS
SCHEMBL983152 0.84 GPR119 (0.48) GPR119KDM4EMAPTTHRBHPGDS
SCHEMBL15531553 0.84 HPGD (0.42) GPR119KDM4EMAPTTHRBHPGDS
SCHEMBL19975015 0.82 GPR119 (0.46) GPR119KDM4EMAPTTHRBHPGDS
SCHEMBL2103644 0.82 GPR119 (0.45) GPR119KDM4EMAPTTHRBHPGDS
SCHEMBL2103641 0.82 GPR119 (0.45) GPR119KDM4EMAPTTHRBHPGDS
SCHEMBL2103638 0.82 GPR119 (0.45) GPR119KDM4EMAPTTHRBHPGDS
SCHEMBL14164236 0.81 GPR119 (0.48) GPR119KDM4EMAPTTHRBHPGDS

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-8198308-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20110059938-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-20090176769-A1 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-20090176769-A1 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-20090176769-A1 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
WO-2009020470-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-12 WO disclosed
WO-2009020470-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-12 WO disclosed
US-20080182837-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 US disclosed
WO-2008003770-A1 PHENYL SUBSTITUTED HETEROARYL-DERIVATIVES AND USE THEREOF AS ANTI-TUMOR AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-10 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 (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-20090176769-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, GRPR GPR119 142/4885KDM4E 4442/4885MAPT 2525/4885
US-20110059938-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 GPR119 376/4885KDM4E 1728/4885MAPT 4140/4885
US-20080182837-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 GPR119 376/4885KDM4E 1728/4885MAPT 4140/4885

“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.