SCHEMBL13675505

SCHEMBL13675505

CCc1cccc(CN(C)CCN2CCCCC2)c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.71
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48

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
SCHEMBL10288974 0.91 SIGMAR1 (0.62) SIGMAR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13060706 0.83 SIGMAR1 (0.50) SIGMAR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13060701 0.83 SIGMAR1 (0.50) SIGMAR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL792219 0.83 SIGMAR1 (0.71) SIGMAR1
Hydrochloric Acid SCHEMBL8694185 0.82 SIGMAR1 (0.69) SIGMAR1
SCHEMBL13306955 0.82 SIGMAR1 (0.73) SIGMAR1
SCHEMBL13061122 0.78 CXCR4 (0.60) SIGMAR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL10288526 0.77 SIGMAR1 (0.60) SIGMAR1KDM4ETSHR
SCHEMBL1901538 0.77 HRH3 (0.70) SIGMAR1KDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL18516616 0.77 SIGMAR1 (0.62) SIGMAR1KDM4EALDH1A1CYP2D6

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-20090270381-A1 Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AG (DE) 2009-10-29 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-20090270381-A1 Non-steroidal progesterone receptor modulators PGR, PGRMC1, PGRMC2 SIGMAR1 120/4885KDM4E 992/4885ALDH1A1 1257/4885

“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.