SCHEMBL15925129

SCHEMBL15925129

CC(C)(C)C1CCN(CCO)CC1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.37
MAPK1 P28482 1/20 0.36
KCNH2 Q12809 2/20 0.35
CACNA1I Q9P0X4 2/20 0.35
HRH1 P35367 2/20 0.35
CACNA1G O43497 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR4 Q13639 1/20 0.35
CACNA1C Q13936 1/20 0.35
MCHR1 Q99705 1/20 0.35
OPRM1 P35372 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL15925101 0.84 DRD2 (0.38)
SCHEMBL12384652 0.80 KDM4E (0.33) OPRM1
SCHEMBL12384802 0.80 KDM4E (0.33) OPRM1
SCHEMBL15925075 0.80 KDM4E (0.33) OPRM1
SCHEMBL24828000 0.79 KCNH2 (0.30) KCNH2CACNA1IHRH1CACNA1GCHRM2
SCHEMBL12374967 0.77 KCNH2 (0.34) KCNH2CACNA1IHRH1CACNA1GCHRM2
SCHEMBL16508754 0.74 KCNH2 (0.36) SLC18A3MAPK1KCNH2CACNA1IHRH1
SCHEMBL18013656 0.74 SSTR4 (0.33)
SCHEMBL18013658 0.74 SSTR4 (0.33)
SCHEMBL24852752 0.74 SSTR4 (0.33)

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-8796256-B2 Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators JANSSEN PHARMACEUTICA NV (BE) 2014-08-05 US disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 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-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA SLC18A3 4500/4885MAPK1 3568/4885KCNH2 4437/4885

“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.