SCHEMBL1751752

SCHEMBL1751752

[NH]CCC(=O)NCC1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
FAAH O00519 1/20 0.45
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
EPHX1 P07099 2/20 0.39
USP2 O75604 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
CA9 Q16790 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL1690847 0.78 FAAH (0.57) TDP1FAAHCNR1CNR2ALDH1A1
SCHEMBL1751753 0.78 TDP1 (0.56) TDP1FAAHCNR1CNR2ALDH1A1
SCHEMBL6938019 0.77 TDP1 (0.59) TDP1FAAHCNR1CNR2ALDH1A1
SCHEMBL6606123 0.75 FAAH (0.67) TDP1FAAHCNR1CNR2SMN1; SMN2
SCHEMBL5483953 0.75
SCHEMBL3229640 0.75
SCHEMBL8944793 0.74 EPHX1 (0.53) TDP1ALDH1A1SMN1; SMN2EPHX1CA12
SCHEMBL23135475 0.74 CNR2 (0.47) TDP1FAAHCNR1CNR2ALDH1A1
SCHEMBL13708638 0.74 CNR1 (0.54) TDP1FAAHCNR1CNR2SMN1; SMN2
SCHEMBL1690111 0.74 CACNA1H (0.57) TDP1FAAHCNR1CNR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968584-B2 Substituted arylpyrazoles PFIZER INC. (US) 2011-06-28 US disclosed
US-7645786-B2 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2010-01-12 US disclosed
EP-2102167-A2 SUBSTITUTED ARYLPYRAZOLES Pfizer Limited (GB) 2009-09-23 EP disclosed
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER INC. (US) 2009-07-23 US disclosed
US-7538134-B2 Substituted arylpyrazoles PFIZER INC. (US) 2009-05-26 US disclosed
US-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2008-07-24 US disclosed
US-20080146643-A1 COMBINATION PFIZER LIMITED (GB) 2008-06-19 US disclosed
WO-2008072053-A2 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2008-06-19 WO disclosed
WO-2008072077-A2 COMBINATION OF 1-ARYL-4-CYCLOPROPYLPYRAZOLES WITH ANTHELMINTIC AGENT FOR PARASITIC INFESTATION PFIZER LIMITED (GB) 2008-06-19 WO disclosed
EP-1893581-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES Pfizer Limited (GB) 2008-03-05 EP disclosed
US-20070149464-A1 COMBINATION PFIZER INC. (US) 2007-06-28 US disclosed
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2007-06-28 US disclosed
US-20060287365-A1 Substituted arylpyrazoles ZOETIS LLC 2006-12-21 US disclosed
WO-2006134468-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES PFIZER LIMITED (GB) 2006-12-21 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 (6 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-20080146643-A1 COMBINATION PIGO, EPX, PIGS TDP1 4609/4885FAAH 699/4885CNR1 752/4885
US-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 TDP1 3554/4885FAAH 2229/4885CNR1 142/4885
US-20060287365-A1 Substituted arylpyrazoles CYP3A4, CYP3A43, CYP4B1 TDP1 3554/4885FAAH 2229/4885CNR1 142/4885
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 TDP1 3554/4885FAAH 2229/4885CNR1 142/4885
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days CYP3A43, CYP3A4, CYP2F1 TDP1 2780/4885FAAH 100/4885CNR1 120/4885
US-20070149464-A1 COMBINATION PIGO, EPX, PIGS TDP1 4609/4885FAAH 699/4885CNR1 752/4885

“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.