SCHEMBL10159973

SCHEMBL10159973

CC(C)(C)N1CCC1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.34
GAA P10253 1/20 0.32
EPHX1 P07099 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL22678726 1.00 HTT (0.42) HTTSMN1; SMN2ATMGAAEPHX1
SCHEMBL4898829 0.88 HSD17B10 (0.37) HTTSMN1; SMN2ATMEPHX1DPP4
SCHEMBL10205021 0.88 HSD17B10 (0.37) HTTSMN1; SMN2ATMEPHX1DPP4
SCHEMBL8235608 0.88 HSD17B10 (0.37) HTTSMN1; SMN2ATMEPHX1DPP4
SCHEMBL4901400 0.86 EPHX1 (0.35) HTTSMN1; SMN2ATMEPHX1
Hydrochloric Acid SCHEMBL7302950 0.86 HSD17B10 (0.36) HTTSMN1; SMN2ATMEPHX1DPP4
SCHEMBL19487470 0.80 HTT (0.39) HTT
SCHEMBL5702246 0.80 LMNA (0.40) HTTATM
SCHEMBL19271791 0.80 HTT (0.39) HTT
SCHEMBL5702250 0.80 LMNA (0.40) HTTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170101397-A1 PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES Grünenthal GmbH (DE) 2017-04-13 US disclosed
US-20170101397-A1 PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES Grünenthal GmbH (DE) 2017-04-13 US disclosed
US-20170101398-A1 PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES Grünenthal GmbH (DE) 2017-04-13 US disclosed
US-20170101398-A1 PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES Grünenthal GmbH (DE) 2017-04-13 US disclosed
US-20120115819-A1 Pentacycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-10 US disclosed
US-20120115819-A1 Pentacycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-10 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 (3 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-20170101398-A1 PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES TRPV1, CACNA1G, CACNA1B HTT 708/4885SMN1; SMN2 1014/4885ATM 4399/4885
US-20170101397-A1 PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES TRPV1, CACNA1G, CACNA1B HTT 708/4885SMN1; SMN2 1014/4885ATM 4399/4885
US-20120115819-A1 Pentacycline Compounds TSLP, IL5, IL17A HTT 1052/4885SMN1; SMN2 3883/4885ATM 4853/4885

“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.