SCHEMBL3189130

SCHEMBL3189130

CCNC(=O)NCc1ccccc1-c1ccc(C(C)(C)CC/C=C/C(=O)N2CCOCC2)cc1O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TRPV1 Q8NER1 1/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ITGB2 P05107 2/20 0.33
ICAM1 P05362 2/20 0.33
ITGAL P20701 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 3/20 0.33
APP P05067 1/20 0.33
MAOB P27338 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL3189135 1.00 RAB9A (0.39) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL3190487 0.83 CNR1 (0.41) RAB9AHPGDSMN1; SMN2ALDH1A1CNR1
SCHEMBL3180971 0.76 CNR1 (0.43) RAB9AHPGDSMN1; SMN2ALDH1A1CNR1
SCHEMBL3188917 0.75 CNR1 (0.60) CNR1CNR2
SCHEMBL3190604 0.75 CNR1 (0.41) RAB9AALDH1A1CNR1CNR2POLB
SCHEMBL3187490 0.74 POLB (0.39) RAB9AHPGDSMN1; SMN2ALDH1A1CNR1
SCHEMBL3187113 0.72 CNR1 (0.42) CNR1CNR2
SCHEMBL3200067 0.72 CNR1 (0.44) CNR1CNR2
SCHEMBL3188763 0.71 CNR1 (0.37) RAB9ANPC1SMN1; SMN2ALDH1A1CNR1
SCHEMBL3180987 0.70 CNR1 (0.40) SMN1; SMN2ALDH1A1CNR1CNR2KMT2A

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 2079/4885NPC1 845/4885HPGD 813/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 RAB9A 2079/4885NPC1 845/4885HPGD 813/4885

“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.