SCHEMBL18484646

SCHEMBL18484646

O=C1CCN(c2ncc(Br)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.43
KDM4E B2RXH2 1/20 0.38
CXCR3 P49682 1/20 0.37
POLB P06746 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
SMO Q99835 1/20 0.35
ACACB O00763 2/20 0.34
CHRM4 P08173 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
MAPK1 P28482 1/20 0.33
TIPARP Q7Z3E1 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
SCHEMBL20244719 0.80 POLB (0.36) KDM4EPOLBALDH1A1LMNAMKNK1
SCHEMBL12490138 0.80 GPR119 (0.42) POLBALDH1A1LMNAMKNK1MKNK2
SCHEMBL12490123 0.80 GPR119 (0.43) KDM4EPOLBGRIN2DGRIN3BGRIN1
SCHEMBL18483813 0.79 KDM4E (0.41) PANK3KDM4ECXCR3POLBGRIN2D
SCHEMBL3323407 0.79 KDM4E (0.43) PANK3KDM4EPOLBALDH1A1SMO
SCHEMBL1433020 0.79 ALDH1A1 (0.47) PANK3KDM4EPOLBALDH1A1SMO
SCHEMBL3611548 0.77 TSHR (0.49) PANK3KDM4EPOLBALDH1A1LMNA
SCHEMBL614756 0.77 KDM4E (0.52) KDM4EPOLBALDH1A1LMNA
SCHEMBL365996 0.77 TSHR (0.49) PANK3KDM4EPOLBALDH1A1LMNA
SCHEMBL15205660 0.76 GRIN2D (0.58) PANK3CXCR3GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709373-A2 HETEROCYCLIC COMPOUNDS FOR IMAGING AGGREGATED TAU IN TAUOPATHIES University of Pittsburgh - Of the Commonwealth System of Higher Education (US) 2026-03-18 EP disclosed
WO-2024233875-A2 HETEROCYCLIC COMPOUNDS FOR IMAGING AGGREGATED TAU IN TAUOPATHIES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2024-11-14 WO disclosed
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
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 PANK3 3605/4885KDM4E 1210/4885CXCR3 711/4885
US-20190152953-A1 SUBSTITUTED GUANIDINE DERIVATIVES GMPS, GUCY1A1, GUCY1A2 PANK3 3605/4885KDM4E 1210/4885CXCR3 711/4885

“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.