SCHEMBL12445260

SCHEMBL12445260

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HRH4 Q9H3N8 4/20 0.42
SIRT6 Q8N6T7 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
EGFR P00533 1/20 0.41
ERBB3 P21860 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 2/20 0.40
PTBP1 P26599 1/20 0.40
STK33 Q9BYT3 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 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
SCHEMBL2360158 0.90 HRH4 (0.44) MAPTHTR1AHTR1DHTR1BHRH4
SCHEMBL2360090 0.90 CYP1A2 (0.43) MAPTMAPK1HTR1AHTR1DHTR1B
SCHEMBL14733346 0.89 HRH4 (0.42) MAPTMAPK1HTTHRH4ALDH1A1
SCHEMBL2360469 0.82 HRH4 (0.45) MAPTMAPK1HTTHTR1AHTR1D
SCHEMBL2359748 0.78 HRH4 (0.43) MAPTMAPK1HTTHTR1AHTR1D
SCHEMBL14733345 0.74 HRH4 (0.42) MAPTHTR1AHRH4ALDH1A1KDM4E
SCHEMBL14733343 0.74 KMT2A (0.44) MAPTMAPK1HRH4ALDH1A1KDM4E
SCHEMBL2333076 0.72 HRH4 (0.42) MAPTMAPK1HTR1AHTR1DHTR1B
SCHEMBL2328041 0.71 HTR2A (0.44) MAPTHTR1AHTR1DHTR1BHRH4
SCHEMBL14733339 0.70 HRH4 (0.45) MAPTHRH4ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US claimed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
WO-2011098776-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-18 WO 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 MAPT 2442/4885MAPK1 2112/4885HTT 655/4885

“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.