SCHEMBL3213359

SCHEMBL3213359

O=S(=O)(c1ccc2ccccc2n1)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.42
KDM4E B2RXH2 4/20 0.42
CYP1A2 P05177 3/20 0.42
SLC6A4 P31645 3/20 0.42
HTR6 P50406 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PMP22 Q01453 2/20 0.42
HTR1A P08908 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
USP2 O75604 1/20 0.42
HTR3B O95264 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR2C P28335 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR7 P34969 1/20 0.42
HTT P42858 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42

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
SCHEMBL28265035 0.89 NPC1 (0.39) CYP3A4KDM4ECYP1A2ALDH1A1MAPK1
Quinoline SCHEMBL28264935 0.81 ALDH1A1 (0.50) CYP3A4KDM4ECYP1A2ALDH1A1HTT
SCHEMBL23166277 0.75 NAMPT (0.36) CYP1A2MEN1KMT2A
SCHEMBL8480253 0.73 HTR6 (0.41) CYP3A4KDM4ESLC6A4HTR6HTR1A
SCHEMBL3212630 0.72 PKM (0.55) SLC6A4HTR6HTR1AHTR2CHTR7
Hydrochloric Acid SCHEMBL5269173 0.72 HTR6 (0.40) CYP3A4KDM4ESLC6A4HTR6HTR1A
SCHEMBL3219342 0.72 CYP3A4 (0.42) CYP3A4KDM4EALDH1A1MAPK1LMNA
SCHEMBL546320 0.71 MGAM (0.47) KDM4ECYP1A2ALDH1A1HTTLMNA
SCHEMBL17803 0.70 HTR2A (0.51) CYP3A4HTR6HTR2CLMNAKCNH2
SCHEMBL6833105 0.70 MGAM (0.46) KDM4ECYP1A2ALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
EP-1981848-A2 11-BETA HSD1 INHIBITORS Wyeth (US) 2008-10-22 EP disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 US disclosed
WO-2007092435-A2 11-BETA HSD1 INHIBITORS WYETH (US) 2007-08-16 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 (2 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-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 CYP3A4 102/4885KDM4E 1296/4885CYP1A2 94/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 CYP3A4 108/4885KDM4E 1360/4885CYP1A2 102/4885

“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.