SCHEMBL14656642

SCHEMBL14656642

CC(C)(C)OC(=O)OC(=O)[C@@]1(c2ccccc2)CCCN1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.36
CHRM3 P20309 1/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CCR5 P51681 1/20 0.33
TACR1 P25103 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
AKR1C1 Q04828 1/20 0.33
APOBEC3A P31941 2/20 0.32
APOBEC3G Q9HC16 2/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL14343273 1.00 OPRM1 (0.36) OPRM1CHRM3TSHRALOX15ATM
SCHEMBL7380300 0.79 ELANE (0.31) OPRM1GPR119
SCHEMBL10469218 0.79 LMNA (0.41) OPRM1CHRM3TSHRMEN1KMT2A
SCHEMBL10575335 0.79 LMNA (0.41) OPRM1CHRM3TSHRMEN1KMT2A
SCHEMBL10572588 0.79 DDB1 (0.41) OPRM1
SCHEMBL7378927 0.79 DDB1 (0.41) OPRM1
SCHEMBL14343367 0.78 P4HB (0.32) OPRM1GPR119
SCHEMBL7379886 0.77 HRH3 (0.46) TACR1OPRD1OPRK1
SCHEMBL17476067 0.76 MEN1 (0.46) OPRM1CHRM3TSHRMEN1KMT2A
SCHEMBL16398618 0.76 HSD11B1 (0.35) OPRM1

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
EP-3533797-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-12-20 EP disclosed
US-20170209452-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-07-27 US disclosed
US-9655900-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-23 US disclosed
US-20160310494-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-10-27 US disclosed
US-9388195-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-12 US disclosed
US-20150158882-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2015-06-11 US disclosed
US-8933069-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 US disclosed
US-8921354-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
US-20140235615-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-21 US disclosed
US-20140228352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
US-8722660-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
US-20130029969-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-31 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 (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-20160310494-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT OPRM1 3189/4885CHRM3 4705/4885TSHR 3819/4885
US-20130029969-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT OPRM1 3189/4885CHRM3 4705/4885TSHR 3819/4885
US-20150158882-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT OPRM1 3189/4885CHRM3 4705/4885TSHR 3819/4885
US-20140228352-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT OPRM1 3189/4885CHRM3 4705/4885TSHR 3819/4885
US-20140235615-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT OPRM1 3189/4885CHRM3 4705/4885TSHR 3819/4885
US-20170209452-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT OPRM1 3189/4885CHRM3 4705/4885TSHR 3819/4885

“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.