SCHEMBL12617201

SCHEMBL12617201

CCN1CCCN(CC(F)(F)F)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
HSD11B1 P28845 2/20 0.33
CHRNA7 P36544 1/20 0.32
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 4/20 0.32
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
RAD52 P43351 1/20 0.31
GFER P55789 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.30
KDM2B Q8NHM5 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
SCHEMBL683608 0.93 TSHR (0.39) TSHRKMT2AOPRM1OPRD1OPRK1
SCHEMBL4542873 0.85
SCHEMBL2606082 0.80 KDM4E (0.46) ALDH1A1KDM4EPOLB
SCHEMBL5314785 0.80 LMNA (0.36) KMT2AALDH1A1KDM4EGAA
SCHEMBL25235628 0.80 KDM1A (0.34) KMT2AOPRM1OPRD1OPRK1
SCHEMBL19679814 0.80 KMT2A (0.46) CYP2D6KMT2AHSD11B1CHRNA7ALDH1A1
SCHEMBL577863 0.80 KMT2A (0.46) CYP2D6KMT2AHSD11B1CHRNA7ALDH1A1
SCHEMBL1045372 0.80 KMT2A (0.46) CYP2D6KMT2AHSD11B1CHRNA7ALDH1A1
SCHEMBL19679818 0.80 KMT2A (0.46) CYP2D6KMT2AHSD11B1CHRNA7ALDH1A1
SCHEMBL1044668 0.80 KMT2A (0.46) CYP2D6KMT2AHSD11B1CHRNA7ALDH1A1

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-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS BIGNAN GILLES (US) 2012-11-29 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 TSHR 1150/4885CYP2D6 2739/4885KMT2A 1749/4885
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R TSHR 1150/4885CYP2D6 2739/4885KMT2A 1749/4885

“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.