SCHEMBL16508784

SCHEMBL16508784

CCC1CCN(CC)CC1F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 2/20 0.31
CACNA1I Q9P0X4 2/20 0.31
CACNA1G O43497 1/20 0.31
CHRM2 P08172 1/20 0.31
HRH1 P35367 1/20 0.31
HTR4 Q13639 1/20 0.31
CACNA1C Q13936 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
SCHEMBL12424964 1.00 SMN1; SMN2 (0.34) SMN1; SMN2KCNH2CACNA1ICACNA1GCHRM2
SCHEMBL15014514 1.00 SMN1; SMN2 (0.34) SMN1; SMN2KCNH2CACNA1ICACNA1GCHRM2
SCHEMBL12561242 1.00 SMN1; SMN2 (0.34) SMN1; SMN2KCNH2CACNA1ICACNA1GCHRM2
SCHEMBL25597177 0.86 ACHE (0.33) SMN1; SMN2
SCHEMBL12560838 0.84 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL13906066 0.84 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL12425829 0.83 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL12536241 0.81 RORC (0.35) SMN1; SMN2
SCHEMBL12560839 0.81 DPP4 (0.36) SMN1; SMN2
SCHEMBL12536234 0.81 KCNH2 (0.36) SMN1; SMN2KCNH2CACNA1ICACNA1GCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SMN1; SMN2 3467/4885KCNH2 4437/4885CACNA1I 4580/4885

“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.