SCHEMBL3189116

SCHEMBL3189116

COc1cccc(NC(=O)NCc2ccccc2-c2ccc(C(C)(C)CCCCC(=O)N3CCOCC3)cc2O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
MAPK1 P28482 2/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CCR3 P51677 1/20 0.43
POLB P06746 3/20 0.42
ALDH1A1 P00352 2/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
LMNA P02545 3/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 1/20 0.40
EPHX2 P34913 2/20 0.39
MAPT P10636 2/20 0.39
STAT1 P42224 1/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL3180943 0.93 MAPT (0.44) RAB9ASMN1; SMN2CCR3POLBALDH1A1
SCHEMBL3194159 0.89 CNR1 (0.47) RAB9ASMN1; SMN2HTTL3MBTL1CCR3
SCHEMBL3180932 0.88 CCR3 (0.42) RAB9AMAPK1SMN1; SMN2HTTCCR3
SCHEMBL3180971 0.85 CNR1 (0.43) RAB9ASMN1; SMN2POLBALDH1A1CNR1
SCHEMBL3190061 0.85 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2HTTCCR3POLB
SCHEMBL3190487 0.85 CNR1 (0.41) RAB9ASMN1; SMN2POLBALDH1A1CNR1
SCHEMBL3187490 0.83 POLB (0.39) RAB9ASMN1; SMN2POLBALDH1A1CNR1
SCHEMBL3190604 0.82 CNR1 (0.41) RAB9AL3MBTL1POLBALDH1A1CNR1
SCHEMBL3187191 0.82 CNR1 (0.44) RAB9ASMN1; SMN2POLBCNR1CNR2
SCHEMBL13255046 0.80 RAB9A (0.40) RAB9ASMN1; SMN2POLBALDH1A1CNR1

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 2079/4885MAPK1 1208/4885PKM 844/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 RAB9A 2079/4885MAPK1 1208/4885PKM 844/4885

“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.