SCHEMBL1751753

SCHEMBL1751753

NCCC(=O)NCC1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
FAAH O00519 1/20 0.45
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
F10 P00742 1/20 0.40
PRSS1 P07477 1/20 0.40
BACE1 P56817 1/20 0.40
POLB P06746 1/20 0.40
EPHX1 P07099 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC7 Q8WUI4 3/20 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
SCHEMBL15224107 0.90 CYP2D6 (0.58) TDP1CYP2D6SMN1; SMN2ALDH1A1BACE1
SCHEMBL1380295 0.82
SCHEMBL9498033 0.81 TDP1 (0.39) TDP1FAAHCYP2D6SMN1; SMN2CNR1
SCHEMBL9499570 0.81 TDP1 (0.39) TDP1FAAHCYP2D6SMN1; SMN2CNR1
SCHEMBL9795106 0.81 TDP1 (0.39) TDP1FAAHCYP2D6SMN1; SMN2CNR1
SCHEMBL6938019 0.81 TDP1 (0.59) TDP1FAAHCYP2D6SMN1; SMN2CNR1
SCHEMBL15224299 0.79 CYP2D6 (0.54) TDP1FAAHCYP2D6SMN1; SMN2CNR1
SCHEMBL1751752 0.78 TDP1 (0.50) TDP1FAAHCYP2D6SMN1; SMN2CNR1
SCHEMBL1690847 0.78 FAAH (0.57) TDP1FAAHSMN1; SMN2CNR1CNR2
SCHEMBL4431884 0.76 TDP1 (0.48) TDP1FAAHCYP2D6SMN1; SMN2CNR1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339687-A1 4-6-DIPHENYL PYRIDINE DERIVATIVES AS ANTIINFLAMMATORY AGENTS Bayer Aktiengesellschaft (DE) 2003-09-03 EP claimed
WO-2002044153-A1 4-6-DIPHENYL PYRIDINE DERIVATIVES AS ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2002-06-06 WO claimed
EP-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 EP disclosed
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
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
US-20070149464-A1 COMBINATION 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
EP-1450811-A4 2-ARYL PYRROLOPYRIMIDINES FOR A1 AND A3 RECEPTORS OSI PHARM INC (US) 2005-11-16 EP disclosed
EP-1347980-A4 COMPOUNDS SPECIFIC TO ADENOSINE-A1,-A2A, AND- A3-RECEPTOR AND USES THEREOF OSI PHARM INC (US) 2005-02-09 EP disclosed
EP-1450811-A2 2-ARYL PYRROLOPYRIMIDINES FOR A1 AND A3 RECEPTORS Osi Pharmaceuticals, Inc. (US) 2004-09-01 EP disclosed
EP-1347980-A1 COMPOUNDS SPECIFIC TO ADENOSINE-A1,-A2A, AND- A3-RECEPTOR AND USES THEREOF OSI Pharmaceuticals, Inc. (US) 2003-10-01 EP disclosed
WO-2003048120-A2 2-ARYL PYRROLOGPYRIMIDINES FOR A1 AND A3 RECEPTORS OSI PHARMACEUTICALS, INC. (US) 2003-06-12 WO disclosed
WO-2002057267-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI PHARMACEUTICALS, INC. (US) 2002-07-25 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 (4 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-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 TDP1 3554/4885FAAH 2229/4885CYP2D6 13/4885
US-20060287365-A1 Substituted arylpyrazoles CYP3A4, CYP3A43, CYP4B1 TDP1 3554/4885FAAH 2229/4885CYP2D6 13/4885
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 TDP1 3554/4885FAAH 2229/4885CYP2D6 13/4885
US-20070149464-A1 COMBINATION PIGO, EPX, PIGS TDP1 4609/4885FAAH 699/4885CYP2D6 93/4885

“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.