SCHEMBL9607530

SCHEMBL9607530

CC(C)c1nnsc1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL4546381 0.69 SLC6A2 (0.34) SLC6A2SLC6A3
SCHEMBL820768 0.69 KMT2A (0.35)
SCHEMBL21718706 0.67
SCHEMBL21720492 0.67
SCHEMBL9563995 0.67
SCHEMBL24191338 0.67 TDO2 (0.34)
SCHEMBL21720321 0.67
SCHEMBL21720117 0.67
SCHEMBL9608969 0.64 SLC6A2 (0.45) SLC6A2SLC6A3
SCHEMBL24498584 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9545105-B2 1-(heterocyclic carbonyl) piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-17 US disclosed
US-20130261155-A1 1-(HETEROCYCLIC CARBONYL) PIPERIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 US disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
US-20110224267-A1 Selective androgen receptor modulators Radius Health,Inc. (US) 2011-09-15 US disclosed
US-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2010-02-18 US 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-20130261155-A1 1-(HETEROCYCLIC CARBONYL) PIPERIDINES CBR3, CBR1, CYP51A1 SLC6A2 4838/4885SLC6A3 4536/4885
US-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, SHBG, IGF1R SLC6A2 4023/4885SLC6A3 4214/4885
US-20110224267-A1 Selective androgen receptor modulators AR, SHBG, GPR119 SLC6A2 3635/4885SLC6A3 4044/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH SLC6A2 1390/4885SLC6A3 2186/4885

“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.