SCHEMBL14733346

SCHEMBL14733346

COc1ccc(N2CCN(c3ccc(C)c(N4CCN(C)CC4)n3)S2(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 6/20 0.41
MAPT P10636 6/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
RECQL P46063 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
PTBP1 P26599 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL12445260 0.89 MAPT (0.45) HRH4ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL14733345 0.86 HRH4 (0.42) HRH4ALDH1A1KDM4EMAPTNPC1
SCHEMBL14733343 0.86 KMT2A (0.44) HRH4ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL14733339 0.82 HRH4 (0.45) HRH4ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL2360158 0.79 HRH4 (0.44) HRH4ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL2360090 0.78 CYP1A2 (0.43) HRH4ALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL2360469 0.70 HRH4 (0.45) HRH4ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL424503 0.68 DRD2 (0.66) ALDH1A1SMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL14733340 0.68 DRD2 (0.43) HRH4ALDH1A1MAPTNPC1RAB9A
SCHEMBL14733341 0.67 KMT2A (0.47) HRH4ALDH1A1MAPTMAPK1CYP1A2

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-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 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-20130053372-A1 5-HT RECEPTOR MODULATORS HTR1B, HTR5A, HTR1A HRH4 350/4885ALDH1A1 987/4885SMN1; SMN2 2528/4885

“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.