SCHEMBL1538097

SCHEMBL1538097

C=C(C(=O)C(C)(C)CC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
RIPK1 Q13546 6/20 0.45
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
EGFR P00533 2/20 0.40
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
LMNA P02545 2/20 0.39
XBP1 P17861 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 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
SCHEMBL5075256 0.86 TDP1 (0.43) ATMTDP1RIPK1CES2CES1
SCHEMBL1538176 0.81 TDP1 (0.42) ATMTDP1CES2CES1MAPT
SCHEMBL28946803 0.80 TDP1 (0.50) ATMTDP1CES2CES1MAPT
SCHEMBL2401292 0.80 RIPK1 (0.42) ATMRIPK1CES2CES1MAPT
SCHEMBL6223670 0.76 RIPK1 (0.50) TDP1RIPK1CES2CES1MAPT
SCHEMBL18119960 0.74 PRSS1 (0.50) ATMTDP1RIPK1CES2CES1
SCHEMBL9302864 0.74 TDP1 (0.53) ATMTDP1CES2CES1MAPT
SCHEMBL9710316 0.72 CES1 (0.63) ATMTDP1CES2CES1MAPT
SCHEMBL4412141 0.72 CES1 (0.56) ATMTDP1CES2CES1MAPT
SCHEMBL11804358 0.71 ATM (0.40) ATMTDP1RIPK1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966146-B1 4,5-DIHYDRO- (1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-03-02 EP disclosed
EP-1966146-B1 4,5-DIHYDRO- (1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-03-02 EP disclosed
EP-1966146-A1 4,5-DIHYDRO- (1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS Solvay Pharmaceuticals B.V. (NL) 2008-09-10 EP disclosed
WO-2007071662-A1 4,5-DIHYDRO- (1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS SOLVAY PHARMACEUTICALS B.V. (NL) 2007-06-28 WO disclosed
WO-2007071662-A1 4,5-DIHYDRO- (1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS SOLVAY PHARMACEUTICALS B.V. (NL) 2007-06-28 WO disclosed
US-20070142362-A1 4,5-Dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators SOLVAY PHARMACEUTICALS B.V. 2007-06-21 US disclosed
US-20070142362-A1 4,5-Dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators SOLVAY PHARMACEUTICALS B.V. 2007-06-21 US disclosed
US-20070142362-A1 4,5-Dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators SOLVAY PHARMACEUTICALS B.V. 2007-06-21 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-20070142362-A1 4,5-Dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators CNR1, CNR2, GPR55 ATM 4184/4885TDP1 4528/4885RIPK1 1113/4885

“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.