SCHEMBL3194159

SCHEMBL3194159

COc1cccc(NC(=O)NCc2cccc(-c3ccc(C(C)(C)CCCCC(=O)N4CCOCC4)cc3O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F3 P13726 1/20 0.43
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ROCK2 O75116 1/20 0.39
CCR3 P51677 1/20 0.39
NAMPT P43490 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL3187191 0.94 CNR1 (0.44) CNR1CNR2SMN1; SMN2RAB9AF3
SCHEMBL3189116 0.89 RAB9A (0.45) CNR1CNR2SMN1; SMN2RAB9AHTT
SCHEMBL3193559 0.88 CNR1 (0.47) CNR1CNR2HTTROCK2CCR3
SCHEMBL3188631 0.87 CNR1 (0.45) CNR1CNR2RAB9ALMNAPOLB
SCHEMBL3188925 0.86 SMN1; SMN2 (0.39) CNR1CNR2SMN1; SMN2RAB9AHTT
SCHEMBL3199174 0.86 CNR1 (0.42) CNR1CNR2RAB9APOLB
SCHEMBL3189107 0.85 CNR1 (0.40) CNR1CNR2RAB9APOLB
SCHEMBL3187288 0.83 PPID (0.46) CNR1CNR2RAB9AL3MBTL1LMNA
SCHEMBL3190806 0.82 CNR2 (0.38) CNR1CNR2SMN1; SMN2RAB9AHTT
SCHEMBL3198111 0.82 ALDH1A1 (0.41) CNR1CNR2RAB9APOLBALDH1A1

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 1/4885SMN1; SMN2 2005/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 CNR1 2/4885CNR2 1/4885SMN1; SMN2 2005/4885

“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.