SCHEMBL3204049

SCHEMBL3204049

CC(C)(CCCCC(=O)N1CCOCC1)c1ccc(-c2cccc(CNS(C)(=O)=O)c2)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.41
CNR2 P34972 7/20 0.41
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
BRD4 O60885 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 2/20 0.37
LIPG Q9Y5X9 1/20 0.36
PIK3CD O00329 1/20 0.36
FKBP1A P62942 1/20 0.36
AURKB Q96GD4 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 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 0.87 CNR1 (0.45) CNR1CNR2RAB9APOLBALDH1A1
SCHEMBL3187115 0.86 CNR1 (0.46) CNR1CNR2RAB9APOLBALDH1A1
SCHEMBL3199174 0.86 CNR1 (0.42) CNR1CNR2RAB9APOLBFKBP1A
SCHEMBL13255046 0.85 RAB9A (0.40) CNR1CNR2RAB9APOLBALDH1A1
SCHEMBL3189107 0.85 CNR1 (0.40) CNR1CNR2RAB9APOLBFKBP1A
SCHEMBL3198111 0.85 ALDH1A1 (0.41) CNR1CNR2RAB9APOLBALDH1A1
SCHEMBL3197647 0.83 ACE2 (0.39) CNR1CNR2RAB9APOLBALDH1A1
SCHEMBL13255036 0.83 CNR1 (0.38) CNR1CNR2RAB9APOLBALDH1A1
SCHEMBL3200393 0.83 CNR1 (0.40) CNR1CNR2RAB9APOLBALDH1A1
SCHEMBL3181406 0.83 CNR1 (0.38) CNR1CNR2RAB9APOLB

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 1/4885RAB9A 2079/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 CNR1 2/4885CNR2 1/4885RAB9A 2079/4885

“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.