SCHEMBL3537437

SCHEMBL3537437

CCc1ccccc1-n1c(=O)cc(C2CC2)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.40
TSHR P16473 1/20 0.39
MGLL Q99685 1/20 0.39
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ALOX5 P09917 1/20 0.35
MAPK14 Q16539 1/20 0.35
TP53 P04637 1/20 0.35
NAPRT Q6XQN6 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
DRD3 P35462 1/20 0.33
HTT P42858 2/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL3532956 0.84 HSD11B1 (0.42) MGLLMEN1MAPTKMT2AALOX5
SCHEMBL3533770 0.84 MAPT (0.41) LMNATSHRMGLLMEN1MAPT
SCHEMBL3535467 0.84 MEN1 (0.41) MGLLMEN1MAPTKMT2ATP53
SCHEMBL3529348 0.80 MAPT (0.42) TSHRMEN1MAPTKMT2AHTR1A
SCHEMBL3527587 0.80 MGLL (0.42) TSHRMGLLMEN1MAPTKMT2A
SCHEMBL3533292 0.79 HSD11B1 (0.46) MEN1MAPTKMT2AHTR1AHTT
SCHEMBL3535423 0.79 DRD2 (0.40) LMNATSHRTP53NAPRTDRD2
SCHEMBL3531384 0.78 NAPRT (0.57) LMNATSHRMEN1MAPTKMT2A
SCHEMBL3527309 0.78 NPSR1 (0.36) TSHRMEN1MAPTKMT2AALDH1A1
SCHEMBL3529498 0.78 DRD2 (0.42) DRD2DRD3

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-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 LMNA 3846/4885TSHR 1762/4885MGLL 2403/4885

“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.