SCHEMBL1013799

SCHEMBL1013799

Oc1ccc(Oc2cccc(C=C3CCNCC3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
AKR1B1 P15121 1/20 0.41
MMP3 P08254 1/20 0.40
MMP13 P45452 1/20 0.40
ADAMTS5 Q9UNA0 8/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CHEK1 O14757 1/20 0.38
KDR P35968 1/20 0.38
PARP1 P09874 1/20 0.38
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
POLB P06746 1/20 0.36

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
Tert-Butyl Formate SCHEMBL27763713 0.89 ADAMTS5 (0.41) LTA4HNR1H2BAXAKR1B1MMP3
SCHEMBL1009494 0.88 AKR1B1 (0.51) LTA4HAKR1B1MMP3MMP13ADAMTS5
SCHEMBL1011623 0.86 SLC6A2 (0.43) AKR1B1MMP3MMP13ADAMTS5MEN1
Hydrochloric Acid SCHEMBL1011388 0.85 SLC6A2 (0.42) AKR1B1MMP3MMP13ADAMTS5MEN1
SCHEMBL27763712 0.83 ELANE (0.50) AKR1B1MMP3MMP13ADAMTS5MEN1
SCHEMBL27209659 0.82 FAAH (0.46)
Hydrochloric Acid SCHEMBL1010352 0.82 ADAMTS5 (0.55) ADAMTS5
SCHEMBL27233592 0.81 RAB9A (0.43) AKR1B1ADAMTS5ALOX5PTGS1PTGS2
SCHEMBL1011559 0.81 ADAMTS5 (0.43) LTA4HAKR1B1MMP3MMP13ADAMTS5
SCHEMBL1011417 0.80 ABCB1 (0.44) ADAMTS5MEN1KMT2AESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044052-B2 Inhibitors of fatty acid amide hydrolase; N-pyridin-3-yl-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide; elevate brain anandamide levels; pain, urinary incontinence, cognitive disorders, anxiety, depression, sleeping, eating, movement disorders, glaucoma, psoriasis PFIZER INC. (US) 2011-10-25 US disclosed
EP-2076508-B1 BIARYL ETHER UREA COMPOUNDS PFIZER PROD INC (US) 2011-01-05 EP disclosed
EP-2076508-A2 BIARYL ETHER UREA COMPOUNDS Pfizer Products Inc. (US) 2009-07-08 EP disclosed
US-20080261941-A1 Biaryl Ether Urea Compounds Jazz Pharmaceuticals Therapeutics, Inc. 2008-10-23 US disclosed
WO-2008047229-A2 BIARYL ETHER UREA COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-04-24 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 (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-20080261941-A1 Biaryl Ether Urea Compounds FAAH, FAAH2, LIPC LTA4H 106/4885NR1H2 52/4885BAX 1449/4885

“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.