SCHEMBL18015249

SCHEMBL18015249

CC1(C)OB(c2cnc(-c3ccccn3)[nH]2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.48
LMNA P02545 3/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGDS O60760 2/20 0.43
BTK Q06187 1/20 0.40
METAP1 P53582 8/20 0.39
METAP2 P50579 7/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
CBFB Q13951 4/20 0.38
CYP1A2 P05177 1/20 0.37
CCR1 P32246 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
SCHEMBL2380247 0.73 DGAT1 (0.54) LMNAKDM4ESMN1; SMN2POLBHTT
SCHEMBL20149142 0.71 KDM4E (0.41) LMNAKDM4ESMN1; SMN2POLBHTT
SCHEMBL31520280 0.71 KDM4E (0.41) LMNAKDM4ESMN1; SMN2POLBHTT
SCHEMBL1827472 0.71 LIPG (0.62) LMNAKDM4EPOLBMETAP1CYP1A2
SCHEMBL30276915 0.71 KDM4E (0.41) LMNAKDM4ESMN1; SMN2POLBHTT
SCHEMBL29413172 0.71 LIPG (0.62) LMNAKDM4EPOLBMETAP1CYP1A2
SCHEMBL16547523 0.71 NPY5R (0.59) NPY5RLMNAKDM4ESMN1; SMN2POLB
SCHEMBL16543460 0.70 NPY5R (0.54) NPY5RLMNAKDM4ESMN1; SMN2POLB
SCHEMBL23079973 0.70 CCR1 (0.49) LMNAKDM4ESMN1; SMN2POLBHTT
SCHEMBL20954054 0.70 KDM4E (0.39) LMNAKDM4ESMN1; SMN2POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3484868-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
US-20190315787-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-10-17 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 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 (5 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC NPY5R 3673/4885LMNA 4536/4885KDM4E 3894/4885
US-20190315787-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 NPY5R 4491/4885LMNA 4430/4885KDM4E 3846/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 NPY5R 4491/4885LMNA 4430/4885KDM4E 3846/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 NPY5R 4203/4885LMNA 4570/4885KDM4E 3864/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 NPY5R 4491/4885LMNA 4430/4885KDM4E 3846/4885

“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.