SCHEMBL4086405

SCHEMBL4086405

CCCCNC(=O)CC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC3 O15379 1/20 0.58
HDAC2 Q92769 1/20 0.58
NCOR2 Q9Y618 1/20 0.58
HPGD P15428 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
DRD2 P14416 2/20 0.56
DRD4 P21917 2/20 0.56
DRD3 P35462 2/20 0.56
MAPT P10636 1/20 0.56
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
HAO1 Q9UJM8 1/20 0.53
POLB P06746 1/20 0.52
CYP2C9 P11712 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51

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
SCHEMBL10001149 0.88 SMN1; SMN2 (0.62) HDAC1HDAC8HDAC3HDAC2NCOR2
SCHEMBL16596169 0.84 NAAA (0.69) HPGDSMN1; SMN2L3MBTL1MAPTCYP2C9
SCHEMBL12031270 0.84 SMN1; SMN2 (0.60) HDAC1HDAC8HDAC3HDAC2NCOR2
SCHEMBL6360275 0.83 DRD2 (0.78) HDAC1HDAC8HDAC3HDAC2NCOR2
SCHEMBL3571218 0.80 KMT2A (0.57) HPGDSMN1; SMN2L3MBTL1MAPTERCC5
SCHEMBL7166265 0.78 ALDH1A1 (0.59) HDAC1HPGDSMN1; SMN2L3MBTL1MAPT
SCHEMBL1004988 0.78 DRD2 (0.81) HDAC1HDAC8HDAC3HDAC2NCOR2
SCHEMBL6606979 0.77 L3MBTL1 (0.79) HDAC1HDAC8HPGDSMN1; SMN2L3MBTL1
SCHEMBL27182280 0.76 ERCC5 (0.77) HDAC1HDAC8HPGDSMN1; SMN2L3MBTL1
SCHEMBL4453789 0.76 L3MBTL1 (0.77) HDAC1HDAC8HDAC3HDAC2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670460-B1 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
US-7517900-B2 Pyrazole derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
EP-1670460-A4 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2008-09-03 EP disclosed
EP-1670460-A2 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-06-21 EP disclosed
WO-2005037199-A2 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-28 WO disclosed
US-20050080087-A1 Pyrazole derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 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-20050080087-A1 Pyrazole derivatives as cannabinoid receptor modulators CNR1, CNR2, NPY1R HDAC1 944/4885HDAC8 1833/4885HDAC3 483/4885

“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.