SCHEMBL3222793

SCHEMBL3222793

Cc1cccnc1C1=CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.49
DRD2 P14416 7/20 0.49
DRD3 P35462 7/20 0.49
HTR1A P08908 3/20 0.47
HTR2A P28223 2/20 0.47
HTT P42858 1/20 0.47
HTR6 P50406 1/20 0.47
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL2708167 0.81 DRD4 (0.55) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL2395487 0.80 DRD2 (0.59) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL6969008 0.79 DRD4 (0.61) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL3436517 0.78 WNT3A (0.43) ALDH1A1LMNATMEM97
SCHEMBL2395803 0.76 LMNA (0.60) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL6075980 0.76 DRD2 (0.58) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL7463234 0.76 DRD4 (0.51) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL2395932 0.76 DRD4 (0.67) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL105201 0.75 DRD4 (0.53) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL4011528 0.75 KMT2A (0.52) CYP3A4LMNA

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 10 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-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
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
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 US disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 US 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 DRD4 1607/4885DRD2 1358/4885DRD3 1161/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 DRD4 1038/4885DRD2 921/4885DRD3 745/4885

“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.