SCHEMBL18487148

SCHEMBL18487148

OC1CN(c2ncccc2C2CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
RBP4 P02753 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
PDE10A Q9Y233 5/20 0.37
CHRM3 P20309 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
KMT2A Q03164 1/20 0.36
GRM1 Q13255 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
SCHEMBL20244874 0.79 CYP1A2 (0.45) PDK2KMT2A
SCHEMBL18484126 0.76 HSD11B1 (0.44) PDE10AKMT2A
SCHEMBL31716179 0.76 HSD11B1 (0.44) PDE10AKMT2A
SCHEMBL4880417 0.76 PDE10A (0.39) PDE10AKMT2AGRM1
SCHEMBL18484125 0.76 PDE10A (0.39) PDE10AKMT2AGRM1
SCHEMBL14207437 0.76 GRIN2D (0.50) RBP4PDE10AKMT2AGRM1
SCHEMBL31651737 0.75 EPHX2 (0.55)
SCHEMBL18483803 0.72 PDE10A (0.36) PDE10AKMT2AGRM1
SCHEMBL18485115 0.72 PDE10A (0.36) RBP4PDE10AKMT2AGRM1
SCHEMBL14973800 0.72 EPHX2 (0.59) RBP4

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 PDK2 3077/4885RBP4 4274/4885SIRT6 1842/4885
US-20190152953-A1 SUBSTITUTED GUANIDINE DERIVATIVES GMPS, GUCY1A1, GUCY1A2 PDK2 3077/4885RBP4 4274/4885SIRT6 1842/4885

“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.