SCHEMBL18484113

SCHEMBL18484113

CC(C)(C)OC(=O)N1CC(=NOCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
STS P08842 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GPR119 Q8TDV5 2/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
NAMPT P43490 1/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
YAP1 P46937 1/20 0.40
TACR1 P25103 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL27534101 0.90 ESR2 (0.47) HSD11B1STSNPC1RAB9AGPR119
SCHEMBL994232 0.88 ESR2 (0.43) HSD11B1STSGPR119JAK2JAK1
SCHEMBL2817602 0.88 ESR2 (0.43) HSD11B1STSGPR119JAK2JAK1
SCHEMBL7433532 0.85 JAK2 (0.48) HSD11B1STSNPC1RAB9AGPR119
SCHEMBL20237058 0.82 NPC1 (0.48) HSD11B1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL994427 0.81 STS (0.40) HSD11B1STSGPR119GAATHRB
SCHEMBL4943089 0.81 MMP1 (0.44) HSD11B1STSNPC1RAB9AMEN1
SCHEMBL4943086 0.81 MMP1 (0.44) HSD11B1STSNPC1RAB9AMEN1
SCHEMBL994426 0.81 STS (0.40) HSD11B1STSGPR119GAATHRB
SCHEMBL20741003 0.78 KLK7 (0.44) HSD11B1STSNPC1RAB9AGPR119

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
CN-107922379-B Substituted guanidine derivatives 宇部兴产株式会社 2020-11-06 CN disclosed
US-10759781-B2 Substituted guanidine derivatives UBE INDUSTRIES, LTD. (JP) 2020-09-01 US disclosed
US-10759781-B2 Substituted guanidine derivatives UBE INDUSTRIES, LTD. (JP) 2020-09-01 US disclosed
US-20190152953-A1 SUBSTITUTED GUANIDINE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 2019-05-23 US disclosed
US-20190152953-A1 SUBSTITUTED GUANIDINE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 2019-05-23 US disclosed
EP-3333163-A1 SUBSTITUTED GUANIDINE DERIVATIVE UBE Industries, Ltd. (JP) 2018-06-13 EP disclosed
EP-3333163-A1 SUBSTITUTED GUANIDINE DERIVATIVE UBE Industries, Ltd. (JP) 2018-06-13 EP disclosed
WO-2017022861-A1 SUBSTITUTED GUANIDINE DERIVATIVE 宇部興産株式会社 2017-02-09 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 (2 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-10759781-B2 Substituted guanidine derivatives GMPS, GUCY1A1, GUCY1A2 HSD11B1 2534/4885STS 3034/4885NPC1 506/4885
US-20190152953-A1 SUBSTITUTED GUANIDINE DERIVATIVES GMPS, GUCY1A1, GUCY1A2 HSD11B1 2534/4885STS 3034/4885NPC1 506/4885

“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.