SCHEMBL3188191

SCHEMBL3188191

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
FKBP1A P62942 1/20 0.35
FFAR1 O14842 2/20 0.35
PPID Q08752 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRIN2B Q13224 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
BRD4 O60885 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33

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) RAB9APOLBHSP90AA1HSP90AB1FKBP1A
SCHEMBL3180987 0.82 CNR1 (0.40) HSP90AA1HSP90AB1KMT2ASMN1; SMN2
SCHEMBL3191702 0.82 CNR1 (0.45) PPIDADRB2ADRB1ADRB3
SCHEMBL3180189 0.82 CNR1 (0.40) HSP90AA1HSP90AB1PPIDADRB2ADRB1
SCHEMBL3187288 0.81 PPID (0.46) RAB9APOLBPPIDLMNA
SCHEMBL3188631 0.81 CNR1 (0.45) RAB9APOLBFKBP1AMAPTLMNA
SCHEMBL3190806 0.81 CNR2 (0.38) RAB9APOLBSMN1; SMN2ROCK2ROCK1
SCHEMBL3182129 0.79 CNR1 (0.44) POLBHSP90AA1HSP90AB1FFAR1
SCHEMBL3189107 0.79 CNR1 (0.40) RAB9APOLBFKBP1A
SCHEMBL13453829 0.79 ALDH1A1 (0.38) HSP90AA1HSP90AB1FKBP1AGRIN2BROCK2

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 RAB9A 2079/4885POLB 3506/4885HSP90AA1 1430/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 RAB9A 2079/4885POLB 3506/4885HSP90AA1 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.