SCHEMBL15428161

SCHEMBL15428161

CC1(C)OC2(CCCC2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.45
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PDE7A Q13946 1/20 0.33

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
SCHEMBL15428164 0.98 AVPR1A (0.44) AVPR1ASLC6A2SLC6A4SLC6A3PDE7A
SCHEMBL25628434 0.91 AVPR1A (0.47) AVPR1A
SCHEMBL738649 0.84 SIGMAR1 (0.46) AVPR1ASLC6A2SLC6A4
SCHEMBL30485367 0.81 AVPR1A (0.47) AVPR1A
SCHEMBL6264633 0.81 AVPR1A (0.47) AVPR1A
SCHEMBL4979408 0.81 AVPR1A (0.53) AVPR1A
SCHEMBL20629522 0.80 AVPR1A (0.49) AVPR1A
SCHEMBL16768499 0.77 CYP2D6 (0.47) AVPR1A
SCHEMBL10819385 0.77 AVPR1A (0.47) AVPR1A
SCHEMBL8121303 0.77 PDK2 (0.36) AVPR1A

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 17 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
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US 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
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 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
WO-2014008982-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-01-16 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-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 AVPR1A 2910/4885SLC6A2 2243/4885SLC6A4 2877/4885
US-20150171348-A1 Metal Complexes SOD1, AP1M1, AP3M1 AVPR1A 2910/4885SLC6A2 2243/4885SLC6A4 2877/4885
US-11005050-B2 Metal complexes SOD1, AP1M1, AP3M1 AVPR1A 2910/4885SLC6A2 2243/4885SLC6A4 2877/4885
US-20160365520-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 AVPR1A 2910/4885SLC6A2 2243/4885SLC6A4 2877/4885
US-11917901-B2 Metal complexes MCOLN2, MCOLN1, AP1M1 AVPR1A 2791/4885SLC6A2 2149/4885SLC6A4 3969/4885

“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.