SCHEMBL442886

SCHEMBL442886

CC(Cc1cncs1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 18/20 0.37
SLC6A2 P23975 4/20 0.34
DRD4 P21917 1/20 0.33
ACACB O00763 1/20 0.32
SLC6A4 P31645 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
SCHEMBL5962368 0.79
SCHEMBL24924285 0.76
SCHEMBL469204 0.74 SLC6A3 (0.38) SLC6A3SLC6A2DRD4ACACBSLC6A4
SCHEMBL1911589 0.71 SLC6A3 (0.38) SLC6A3SLC6A2
SCHEMBL13995170 0.70 SCN10A (0.36) SLC6A3SLC6A2
SCHEMBL20470431 0.69 CTSK (0.42) SLC6A3SLC6A2DRD4ACACBSLC6A4
SCHEMBL9480 0.69 PARP15 (0.43) SLC6A3SLC6A2ACACB
SCHEMBL12134656 0.68 PDE10A (0.36) SLC6A3SLC6A2
SCHEMBL105278 0.68 SLC6A3 (0.39) SLC6A3SLC6A2DRD4
SCHEMBL13412533 0.68 SLC6A3 (0.36) SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 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 (1 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 SLC6A3 553/4885SLC6A2 942/4885DRD4 2472/4885

“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.