SCHEMBL3187191

SCHEMBL3187191

COc1ccc(NC(=O)NCc2cccc(-c3ccc(C(C)(C)CCCCC(=O)N4CCOCC4)cc3O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F3 P13726 1/20 0.42
HPGD P15428 1/20 0.40
FKBP1A P62942 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
POLB P06746 1/20 0.40
ROCK2 O75116 3/20 0.40
TP53 P04637 1/20 0.39
BLM P54132 1/20 0.39
CHRM3 P20309 1/20 0.38
TACR2 P21452 1/20 0.38
GAA P10253 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
SCHEMBL3194159 0.94 CNR1 (0.47) CNR1CNR2RAB9AMAPTNPC1
SCHEMBL3188925 0.90 SMN1; SMN2 (0.39) CNR1CNR2RAB9AMAPTMEN1
SCHEMBL3180943 0.88 MAPT (0.44) CNR1CNR2RAB9AMAPTMEN1
SCHEMBL3188631 0.87 CNR1 (0.45) CNR1CNR2RAB9AMAPTHPGD
SCHEMBL3199174 0.86 CNR1 (0.42) CNR1CNR2RAB9AFKBP1APOLB
SCHEMBL3193559 0.86 CNR1 (0.47) CNR1CNR2ROCK2CHRM3
SCHEMBL3189107 0.85 CNR1 (0.40) CNR1CNR2RAB9AFKBP1APOLB
SCHEMBL3187288 0.84 PPID (0.46) CNR1CNR2RAB9APOLB
SCHEMBL3190806 0.82 CNR2 (0.38) CNR1CNR2RAB9ASMN1; SMN2HPGD
SCHEMBL3198111 0.82 ALDH1A1 (0.41) CNR1CNR2RAB9AMAPTMEN1

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.