SCHEMBL1011580

SCHEMBL1011580

O=C(ON1CCC(=Cc2cccc(OCc3ccccc3)c2)CC1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MMP13 P45452 2/20 0.44
GFER P55789 1/20 0.44
MMP3 P08254 1/20 0.44
AKR1B1 P15121 1/20 0.44
PTPN1 P18031 1/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
PPARG P37231 1/20 0.43

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
SCHEMBL27785450 0.90 KDM4E (0.48) KDM4EALDH1A1PKMMAOBMAOA
Trifluoroacetic Acid SCHEMBL1011579 0.80 KDM4E (0.54) KDM4EALDH1A1PKMMAOBMAOA
SCHEMBL1011154 0.80 KDM4E (0.48) KDM4EALDH1A1PKMMAOBMAOA
Trifluoroacetic Acid SCHEMBL4188539 0.78 YAP1 (0.43) KDM4EALDH1A1PKMMAOBMAOA
SCHEMBL2968412 0.76 MAOB (0.61) KDM4EALDH1A1PKMMAOBMAOA
SCHEMBL13504466 0.73 S1PR5 (0.41) KDM4EALDH1A1PKM
SCHEMBL13504469 0.71 GRIN1 (0.43)
SCHEMBL1010602 0.71 CYP3A4 (0.64) ALDH1A1MEN1KMT2ACNR2
SCHEMBL28175071 0.70 SRD5A2 (0.40) ALDH1A1MEN1KMT2AMMP13MMP3
SCHEMBL16716826 0.70 MEN1 (0.36) ALDH1A1MAOBMEN1KMT2AAKR1B1

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 3 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
US-20080261941-A1 Biaryl Ether Urea Compounds Jazz Pharmaceuticals Therapeutics, Inc. 2008-10-23 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-20080261941-A1 Biaryl Ether Urea Compounds FAAH, FAAH2, LIPC KDM4E 1643/4885ALDH1A1 360/4885PKM 3149/4885

“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.