SCHEMBL15614975

SCHEMBL15614975

NCCc1ccc2c(c1)C1CCC2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.53
BACE1 P56817 1/20 0.53
KDM4E B2RXH2 3/20 0.42
ATM Q13315 1/20 0.42
TAAR1 Q96RJ0 11/20 0.41
DRD2 P14416 3/20 0.41
DRD1 P21728 3/20 0.41
MAPK1 P28482 3/20 0.41
ADRA2A P08913 2/20 0.41
MAPT P10636 2/20 0.41
DRD4 P21917 2/20 0.41
DRD5 P21918 2/20 0.41
SLC6A2 P23975 2/20 0.41
DRD3 P35462 2/20 0.41
RECQL P46063 2/20 0.41
SLC6A3 Q01959 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PNMT P11086 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL16905396 0.84 NUDT1 (0.47) NUDT1BACE1KDM4EATMTAAR1
SCHEMBL21494949 0.78 NUDT1 (0.57) NUDT1BACE1KDM4EATMTAAR1
SCHEMBL18309439 0.77 NUDT1 (0.42) NUDT1BACE1KDM4EATMTAAR1
SCHEMBL10938622 0.77 RARG (0.41) NUDT1BACE1DRD2SLC6A2DRD3
SCHEMBL17186198 0.76 NUDT1 (0.51) NUDT1BACE1KDM4EATMTAAR1
SCHEMBL451775 0.74 CHRNB2 (0.68) TAAR1RECQLCHRNB2CHRNA4
SCHEMBL27824291 0.73 KDM4E (0.67) NUDT1BACE1KDM4EATMTAAR1
SCHEMBL14157221 0.72 TAAR1 (0.50) NUDT1BACE1TAAR1DRD2DRD1
SCHEMBL23984352 0.71 KDM4E (0.51) NUDT1BACE1KDM4EATMTAAR1
Hydrochloric Acid SCHEMBL14157399 0.70 TAAR1 (0.48) NUDT1BACE1KDM4ETAAR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-11005050-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-05-11 US disclosed
EP-3424936-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-04-07 EP disclosed
EP-3424936-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2019-01-09 EP disclosed
EP-3094638-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-11-08 EP disclosed
US-20160365520-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-12-15 US disclosed
US-20160365520-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-12-15 US disclosed
WO-2015104045-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-07-16 WO disclosed
US-20150171348-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-06-18 US disclosed
US-20150171348-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-06-18 US disclosed
WO-2014023377-A2 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-02-13 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 (4 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-20150171348-A1 Metal Complexes SOD1, AP1M1, AP3M1 NUDT1 2953/4885BACE1 2807/4885KDM4E 3816/4885
US-11005050-B2 Metal complexes SOD1, AP1M1, AP3M1 NUDT1 2953/4885BACE1 2807/4885KDM4E 3816/4885
US-20160365520-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 NUDT1 2953/4885BACE1 2807/4885KDM4E 3816/4885
US-11917901-B2 Metal complexes MCOLN2, MCOLN1, AP1M1 NUDT1 2282/4885BACE1 2125/4885KDM4E 4260/4885

“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.