SCHEMBL1631920

SCHEMBL1631920

CC(C)(C)OC(=O)N1C2C=C(c3cccc(C(N)=O)c3)CC1CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAP2K4 P45985 1/20 0.42
PARP14 Q460N5 1/20 0.40
OPRK1 P41145 3/20 0.39
USP30 Q70CQ3 1/20 0.39
PDE4D Q08499 1/20 0.39
KCNH2 Q12809 2/20 0.39
GPR119 Q8TDV5 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
WDR5 P61964 2/20 0.37
OPRM1 P35372 2/20 0.36
OPRD1 P41143 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
CHEK2 O96017 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL1631923 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3MAP2K4PARP14
SCHEMBL3034148 0.84 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3USP30GPR119
SCHEMBL11988478 0.81 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3OPRK1PDE4D
SCHEMBL14818544 0.81 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3OPRK1PDE4D
SCHEMBL24223887 0.80 CHRM2 (0.42) GPR119CHRM2CHRM1CHRM3WDR5
SCHEMBL22471536 0.80 CHRM2 (0.42) GPR119CHRM2CHRM1CHRM3WDR5
SCHEMBL28730740 0.80 CHRM2 (0.42) GPR119CHRM2CHRM1CHRM3WDR5
SCHEMBL6491111 0.78 GPR119 (0.46) GPR119CHRM2CHRM1CHRM3
SCHEMBL12094592 0.78 GPR119 (0.46) GPR119CHRM2CHRM1CHRM3
SCHEMBL16489773 0.78 WDR5 (0.40) SLC6A2SLC6A4SLC6A3GPR119CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3037420-B1 PROCESS FOR PREPARING AN INTERMEDIATE TO MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-09-12 EP disclosed
EP-2173746-B1 PROCESS FOR PREPARING AN INTERMEDIATE TO MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP LLC (US) 2016-09-28 EP disclosed
EP-3037420-A1 PROCESS FOR PREPARING AN INTERMEDIATE TO MU OPIOID RECEPTOR ANTAGONISTS Theravance Biopharma R&D IP, LLC (US) 2016-06-29 EP disclosed
US-8476440-B2 Process for preparing an intermediate to mu opioid receptor antagonists THERAVANCE, INC. (US) 2013-07-02 US disclosed
US-20130079523-A1 PROCESS FOR PREPARING AN INTERMEDIATE TO MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2013-03-28 US disclosed
US-8247559-B2 Process for preparing an intermediate to mu opioid receptor antagonists THERAVANCE, INC. (US) 2012-08-21 US disclosed
US-20110166355-A1 PROCESS FOR PREPARING AN INTERMEDIATE TO MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-07-07 US disclosed
US-7932402-B2 Process for preparing an intermediate to opioid receptor antagonists THERAVANCE, INC. (US) 2011-04-26 US disclosed
EP-2173746-A2 PROCESS FOR PREPARING AN INTERMEDIATE TO MU OPIOID RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2010-04-14 EP disclosed
WO-2009014610-A2 PROCESS FOR PREPARING AN INTERMEDIATE TO MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2009-01-29 WO disclosed
US-20090023934-A1 Process for preparing an intermediate to opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-01-22 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-20090023934-A1 Process for preparing an intermediate to opioid receptor antagonists OPRD1, OPRM1, OPRK1 SLC6A2 1052/4885SLC6A4 967/4885SLC6A3 431/4885
US-20110166355-A1 PROCESS FOR PREPARING AN INTERMEDIATE TO MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 SLC6A2 1406/4885SLC6A4 1176/4885SLC6A3 664/4885
US-20130079523-A1 PROCESS FOR PREPARING AN INTERMEDIATE TO MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 SLC6A2 1406/4885SLC6A4 1176/4885SLC6A3 664/4885

“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.