SCHEMBL12337288

SCHEMBL12337288

CCOC(=O)C1(N)CCN(CC)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.53
OPRD1 P41143 6/20 0.53
OPRK1 P41145 6/20 0.53
SMN1; SMN2 Q16637 1/20 0.39
SLC22A1 O15245 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
LMNA P02545 1/20 0.39
KCNA3 P22001 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL372547 0.84
Hydrochloric Acid SCHEMBL741807 0.82 ALOX15 (0.42) OPRM1OPRD1OPRK1SMN1; SMN2SLC22A1
SCHEMBL22441532 0.82
Hydrochloric Acid SCHEMBL20447769 0.82 ALOX15 (0.42) OPRM1OPRD1OPRK1SMN1; SMN2SLC22A1
SCHEMBL12312663 0.81 OPRM1 (0.36) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Hydrochloric Acid SCHEMBL2391027 0.81 OPRM1 (0.38) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL571438 0.80 SMN1; SMN2 (0.44) OPRM1OPRD1OPRK1SMN1; SMN2SLC22A1
SCHEMBL2507803 0.80 ALOX15 (0.41) OPRM1OPRD1OPRK1SMN1; SMN2SLC22A1
SCHEMBL4609435 0.79 CYP3A4 (0.65) OPRM1OPRD1OPRK1SMN1; SMN2LMNA
SCHEMBL22962252 0.79 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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-8399681-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
US-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS BIGNAN GILLES (US) 2012-11-29 US disclosed
US-8263781-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 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 (2 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-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R OPRM1 3161/4885OPRD1 2608/4885OPRK1 549/4885
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R OPRM1 3161/4885OPRD1 2608/4885OPRK1 549/4885

“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.