SCHEMBL3191702

SCHEMBL3191702

CCCCOCC(C)(C)c1ccc(-c2cccc(CNC(=O)NCC)c2)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.45
CNR2 P34972 14/20 0.45
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
PPID Q08752 1/20 0.40
F3 P13726 1/20 0.39
PTPN11 Q06124 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
SCHEMBL3180911 0.93 CNR1 (0.44) CNR1CNR2ADRB2ADRB1ADRB3
SCHEMBL3180189 0.90 CNR1 (0.40) CNR1CNR2ADRB2ADRB1ADRB3
SCHEMBL3187206 0.86 CNR1 (0.61) CNR1CNR2
SCHEMBL3187451 0.83 CNR1 (0.43) CNR1CNR2ADRB2ADRB1ADRB3
SCHEMBL3181860 0.83 CNR1 (0.46) CNR1CNR2ADRB2ADRB1ADRB3
SCHEMBL3188668 0.82 CNR1 (0.50) CNR1CNR2PPID
SCHEMBL3188191 0.82 RAB9A (0.38) ADRB2ADRB1ADRB3PPID
SCHEMBL3188652 0.80 CNR1 (0.45) CNR1CNR2PPID
SCHEMBL3189086 0.80 CNR1 (0.45) CNR1CNR2PPIDF3
SCHEMBL3187161 0.79 CNR1 (0.45) CNR1CNR2ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE ADOLOR CORPORATION (US) 2010-07-01 US claimed
US-20060074086-A1 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2006-04-06 US claimed
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE ADOLOR CORPORATION (US) 2010-07-01 US disclosed
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE ADOLOR CORPORATION (US) 2010-07-01 US disclosed
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE ADOLOR CORPORATION (US) 2010-07-01 US disclosed
US-7671052-B2 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2010-03-02 US disclosed
US-7671052-B2 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2010-03-02 US disclosed
US-7671052-B2 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2010-03-02 US disclosed
US-20060074086-A1 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2006-04-06 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 (2 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-20060074086-A1 Phenyl derivatives and methods of use CNR2, CNR1, GPR119 CNR1 2/4885CNR2 1/4885ADRB2 139/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 CNR1 2/4885CNR2 1/4885ADRB2 139/4885

“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.