SCHEMBL4910469

SCHEMBL4910469

O=C(O)COC1(c2ccccc2)CCNC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
OPRM1 P35372 7/20 0.43
TACR1 P25103 1/20 0.36
ALOX15 P16050 1/20 0.36
AKR1C1 Q04828 1/20 0.34
OPRD1 P41143 4/20 0.34
OPRK1 P41145 4/20 0.34
OPRL1 P41146 2/20 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
SCHEMBL28033357 0.79 AKR1C1 (0.47) ALOX15AKR1C1
SCHEMBL27897293 0.78 TACR1 (0.51) HTR2AOPRM1TACR1OPRD1OPRK1
Hydrochloric Acid SCHEMBL27877869 0.77 TACR1 (0.50) HTR2AOPRM1TACR1OPRD1OPRK1
SCHEMBL3908513 0.77 HTR2A (0.46) HTR2AOPRM1OPRD1OPRK1OPRL1
SCHEMBL25475388 0.77 HTR2A (0.42) HTR2AOPRM1TACR1OPRD1OPRK1
SCHEMBL3908508 0.75 HTR2A (0.44) HTR2AOPRM1AKR1C1OPRD1OPRK1
SCHEMBL25475293 0.74 HTR2A (0.41) HTR2AOPRM1TACR1OPRD1OPRK1
SCHEMBL8880606 0.74 TACR1 (0.49) OPRM1TACR1OPRL1
SCHEMBL2423427 0.74 HTR2A (0.53) HTR2AOPRM1TACR1OPRD1OPRK1
SCHEMBL27894690 0.74 HTR2A (0.42) HTR2AOPRM1TACR1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957229-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2018-05-01 US disclosed
US-20170334847-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION 2017-11-23 US disclosed
US-9670154-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2017-06-06 US disclosed
EP-2963021-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Holdings Corporation (US) 2016-01-06 EP disclosed
US-20150329561-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION 2015-11-19 US disclosed
EP-1756063-B1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-07-08 EP disclosed
US-20080255154-A1 Cycloalkylcarbonyl-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-ones: N-methyl-5-[4-(1-{[3-oxo-1'H,3H-spiro[2-benzofuran-1,3'-pyrrolidin]-1'-yl]carbonyl}cyclopropyl)phenyl]pyridine-2-carboxamide; 11- beta hydroxyl steroid dehydrogenase type 1 inhibitors; mineralcorticoid receptor antagonists; diabetes INCYTE CORPORATION (US) 2008-10-16 US disclosed
US-20070179142-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2007-08-02 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 (4 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-20170334847-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 HTR2A 1601/4885OPRM1 612/4885TACR1 242/4885
US-20080255154-A1 Cycloalkylcarbonyl-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-ones: N-methyl-5-[4-(1-{[3-oxo-1'H,3H-spiro[2-benzofuran-1,3'-pyrrolidin]-1'-yl]carbonyl}cyclopropyl)phenyl]pyridine-2-carboxamide; 11- beta hydroxyl steroid dehydrogenase type 1 inhibitors; mineralcorticoid receptor antagonists; diabetes HSD11B1, NR3C2, SRD5A1 HTR2A 1484/4885OPRM1 947/4885TACR1 232/4885
US-20150329561-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 HTR2A 1601/4885OPRM1 612/4885TACR1 242/4885
US-20070179142-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 HTR2A 1601/4885OPRM1 612/4885TACR1 242/4885

“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.