SCHEMBL14733343

SCHEMBL14733343

Cc1ccc(N2CCN(c3ccccc3)S2(=O)=O)nc1N1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
HTR3E A5X5Y0 3/20 0.42
HTR3B O95264 3/20 0.42
HTR3A P46098 3/20 0.42
HTR3D Q70Z44 3/20 0.42
HTR3C Q8WXA8 3/20 0.42
HRH4 Q9H3N8 5/20 0.42
MAT2A P31153 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
CLK1 P49759 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL14733345 0.88 HRH4 (0.42) KMT2AHTR3AHRH4MAT2AALDH1A1
SCHEMBL14733346 0.86 HRH4 (0.42) HRH4ALDH1A1TSHRCYP1A2MAPT
SCHEMBL2360090 0.84 CYP1A2 (0.43) KMT2AHRH4MAT2AALDH1A1TSHR
SCHEMBL14733341 0.80 KMT2A (0.47) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL12444826 0.78 TSHR (0.39) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL12445260 0.74 MAPT (0.45) HRH4ALDH1A1CYP1A2MAPTMAPK1
SCHEMBL2360158 0.73 HRH4 (0.44) HTR3AHRH4MAT2AALDH1A1MAPT
SCHEMBL14733340 0.68 DRD2 (0.43) KMT2AHTR3AHRH4MAT2AALDH1A1
SCHEMBL14733339 0.67 HRH4 (0.45) KMT2AHRH4ALDH1A1CYP1A2MAPT
SCHEMBL14716849 0.65 TSHR (0.38) KMT2AHTR3EHTR3BHTR3AHTR3D

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 KMT2A 2405/4885HTR3E 15/4885HTR3B 5/4885

“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.