SCHEMBL11053602

SCHEMBL11053602

CC1(C)CC(OS(C)(=O)=O)CC(C)(C)N1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL275290 0.80
SCHEMBL14409078 0.79 APLNR (0.33) TSHR
SCHEMBL24938906 0.73
SCHEMBL30140405 0.73
SCHEMBL2779197 0.72 GAA (0.39) GAATSHRALDH1A1
SCHEMBL17811926 0.72 KDM4E (0.30)
SCHEMBL2779195 0.72 CA1 (0.30)
SCHEMBL10897856 0.72
SCHEMBL11053573 0.71 GAA (0.51) GAAKMT2AMEN1TSHRPOLB
SCHEMBL11051607 0.71 GAA (0.41) GAAKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434693-B2 Substituted pyrazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2016-09-06 US disclosed
US-20140162997-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2014-06-12 US disclosed
US-4487870-A BLEND OF ETHYLENE-VINYL ACETATE COPOLYMER WITH PHOTOSTABILIZER EXXON RESEARCH & ENGINEERING CO. (US) 1984-12-11 US disclosed
US-4038218-A SPRAY DRYING KAO SOAP CO., LTD. (JA) 1977-07-26 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-20140162997-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1B, CACNA1A GAA 2582/4885KMT2A 4030/4885MEN1 1560/4885

“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.