SCHEMBL16761886

SCHEMBL16761886

CCOC(=O)CC(=O)N(Cc1ccc(-c2ccccc2)cc1)C1(CC(=O)OC)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ GPR119 Q8TDV5 3/20 0.40
▸ ATM Q13315 1/20 0.39
▸ PTPRB P23467 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ USP30 Q70CQ3 2/20 0.38
▸ YAP1 P46937 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37

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
SCHEMBL22911797 0.87 LMNA (0.43) GPR119ALDH1A1MMP13
SCHEMBL16761887 0.77 HRH3 (0.34) ATMOPRD1
SCHEMBL16838974 0.75 GPR119 (0.45) TSHRALOX15GPR119ATMUSP30
SCHEMBL16112188 0.75 LMNA (0.55) ALDH1A1
SCHEMBL20197097 0.73 GPR119 (0.43) TSHRALOX15GPR119ATMUSP30
SCHEMBL2375967 0.70 PKM (0.56) TSHRALOX15GPR119ATMUSP30
SCHEMBL19226430 0.70 TACR1 (0.55) TSHRALOX15GPR119ATMTACR1
SCHEMBL12543290 0.70 ALDH1A1 (0.44) ALDH1A1
SCHEMBL14934565 0.69 PKM (0.40) TSHRALOX15USP2ALDH1A1MMP13
SCHEMBL16762036 0.69 CCR2 (0.37) ALDH1A1MMP13

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
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 — — EP disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — US disclosed
EP-2881384-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2015-06-10 — — EP 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 (1 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 TSHR 3613/4885ALOX15 2560/4885GPR119 381/4885

“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.

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