SCHEMBL4742374

SCHEMBL4742374

CN(C1CCCCC1)S(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
KDM4E B2RXH2 2/20 0.71
LMNA P02545 4/20 0.64
GAA P10253 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
GPR55 Q9Y2T6 1/20 0.53
MCOLN3 Q8TDD5 1/20 0.52
HTR2A P28223 5/20 0.51
HTR2C P28335 5/20 0.51
MAPT P10636 3/20 0.51
TSHR P16473 1/20 0.50
DPP4 P27487 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
DPP7 Q9UHL4 1/20 0.49

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
SCHEMBL27895777 0.91 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL14624766 0.85 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL9303072 0.85 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL14132272 0.84 HTR2A (0.72) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL19563418 0.83 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL4159760 0.83 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL14625270 0.83 HTR2A (0.76) ALDH1A1GAAL3MBTL1HTR2AHTR2C
SCHEMBL23884744 0.82 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL12188831 0.81 HTR2A (0.72) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL12169379 0.81 HTR2A (0.72) ALDH1A1KMT2AMEN1KDM4ELMNA

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
WO-2008109007-A1 BRIDGED PHENANTHRIDINES CARA THERAPEUTICS, INC. (US) 2008-09-12 WO disclosed
US-20080214537-A1 BRIDGED PHENANTHRIDINES CARA THERAPEUTICS, INC. (US) 2008-09-04 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-20080214537-A1 BRIDGED PHENANTHRIDINES CNR2, TRPV1, CNR1 ALDH1A1 4403/4885KMT2A 1600/4885MEN1 56/4885

“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.