SCHEMBL3199174

SCHEMBL3199174

CCNC(=O)NCc1cccc(-c2ccc(C(C)(C)CCCCC(=O)N3CCOCC3)cc2O)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.42
CNR2 P34972 14/20 0.42
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
FKBP1A P62942 1/20 0.35

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
SCHEMBL3188631 0.93 CNR1 (0.45) CNR1CNR2POLBRAB9AFKBP1A
SCHEMBL3187288 0.91 PPID (0.46) CNR1CNR2POLBRAB9A
SCHEMBL3190806 0.91 CNR2 (0.38) CNR1CNR2POLBRAB9A
SCHEMBL3189107 0.91 CNR1 (0.40) CNR1CNR2POLBRAB9AFKBP1A
SCHEMBL3180987 0.89 CNR1 (0.40) CNR1CNR2HSP90AA1HSP90AB1
SCHEMBL3188191 0.88 RAB9A (0.38) POLBRAB9AHSP90AA1HSP90AB1FKBP1A
SCHEMBL3182129 0.88 CNR1 (0.44) CNR1CNR2POLBHSP90AA1HSP90AB1
SCHEMBL3198111 0.87 ALDH1A1 (0.41) CNR1CNR2POLBRAB9A
SCHEMBL3187191 0.86 CNR1 (0.44) CNR1CNR2POLBRAB9AFKBP1A
SCHEMBL3188925 0.86 SMN1; SMN2 (0.39) CNR1CNR2POLBRAB9A

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 1/4885POLB 3506/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 CNR1 2/4885CNR2 1/4885POLB 3506/4885

“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.