SCHEMBL3182129

SCHEMBL3182129

CCNC(=O)NCc1cccc(-c2ccc(C(C)(C)CCCCCN3CCOCC3)cc2O)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.44
CNR2 P34972 9/20 0.44
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
FFAR1 O14842 2/20 0.42
TACR2 P21452 5/20 0.40
ACHE P22303 1/20 0.40
POLB P06746 1/20 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
SCHEMBL3199174 0.88 CNR1 (0.42) CNR1CNR2HSP90AA1HSP90AB1POLB
SCHEMBL3180987 0.87 CNR1 (0.40) CNR1CNR2HSP90AA1HSP90AB1TACR2
SCHEMBL3187206 0.85 CNR1 (0.61) CNR1CNR2
SCHEMBL3188668 0.81 CNR1 (0.50) CNR1CNR2
SCHEMBL3189086 0.81 CNR1 (0.45) CNR1CNR2POLB
SCHEMBL3188631 0.80 CNR1 (0.45) CNR1CNR2POLB
SCHEMBL3187161 0.80 CNR1 (0.45) CNR1CNR2
SCHEMBL3181860 0.80 CNR1 (0.46) CNR1CNR2
SCHEMBL3194373 0.79 CNR1 (0.46) CNR1CNR2
SCHEMBL3187288 0.79 PPID (0.46) CNR1CNR2POLB

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 1/4885HSP90AA1 1430/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 CNR1 2/4885CNR2 1/4885HSP90AA1 1430/4885

“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.