SCHEMBL17048689

SCHEMBL17048689

CCOC(=O)C12CCC(C)(CC1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.40
OPRM1 P35372 5/20 0.38
ALDH1A1 P00352 2/20 0.36
F10 P00742 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
ATM Q13315 1/20 0.34
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 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
SCHEMBL15583281 0.88 OPRM1 (0.40) SMN1; SMN2POLBOPRM1ALDH1A1LMNA
SCHEMBL25831437 0.85 SMN1; SMN2 (0.55) SMN1; SMN2POLBOPRM1ALDH1A1LMNA
SCHEMBL22640209 0.83 POLB (0.44) SMN1; SMN2POLBOPRM1ALDH1A1LMNA
SCHEMBL17893420 0.83 ALDH1A1 (0.46) SMN1; SMN2POLBOPRM1ALDH1A1LMNA
SCHEMBL11102433 0.82 SMN1; SMN2 (0.56) SMN1; SMN2POLBOPRM1ALDH1A1LMNA
SCHEMBL9959413 0.82 SMN1; SMN2 (0.42) SMN1; SMN2POLBOPRM1ALDH1A1F10
SCHEMBL1305671 0.80 POLB (0.40) SMN1; SMN2POLBOPRM1ALDH1A1LMNA
SCHEMBL31586414 0.78 POLB (0.39) SMN1; SMN2POLBOPRM1ALDH1A1LMNA
SCHEMBL24920135 0.77 TSHR (0.40) SMN1; SMN2POLBALDH1A1LMNAHSD17B10
SCHEMBL5608323 0.76 SMN1; SMN2 (0.46) SMN1; SMN2POLBOPRM1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
EP-3110810-A1 PYRAZOLE AMIDE DERIVATIVE Teijin Pharma Limited (JP) 2017-01-04 EP disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 WO disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 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 (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-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA SMN1; SMN2 4679/4885POLB 4102/4885OPRM1 4645/4885

“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.