SCHEMBL3180977

SCHEMBL3180977

CC(C)(CCCCC(=O)N1CCOCC1)c1ccc(-c2ccccc2CNC(=O)c2cccnc2)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ROCK2 O75116 4/20 0.40
RAB9A P51151 1/20 0.39
SCN2A Q99250 2/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
NAMPT P43490 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL3197741 0.89 POLB (0.41) ALDH1A1CNR1CNR2ROCK2RAB9A
SCHEMBL3193817 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CNR1CNR2ROCK2
SCHEMBL13255043 0.86 POLB (0.37) ALDH1A1SMN1; SMN2CNR1CNR2RAB9A
SCHEMBL3188763 0.86 CNR1 (0.37) ALDH1A1SMN1; SMN2CNR1CNR2RAB9A
SCHEMBL3191823 0.86 ACE2 (0.37) ALDH1A1SMN1; SMN2CNR1CNR2RAB9A
SCHEMBL3188493 0.86 CNR1 (0.37) ALDH1A1CNR1CNR2RAB9APOLB
SCHEMBL3180149 0.85 RAB9A (0.38) ALDH1A1SMN1; SMN2CNR1CNR2RAB9A
SCHEMBL3180971 0.85 CNR1 (0.43) ALDH1A1SMN1; SMN2CNR1CNR2RAB9A
SCHEMBL3190487 0.84 CNR1 (0.41) ALDH1A1SMN1; SMN2CNR1CNR2RAB9A
SCHEMBL3199031 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2CNR1CNR2RAB9A

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 ALDH1A1 2685/4885SMN1; SMN2 2005/4885CNR1 2/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 ALDH1A1 2685/4885SMN1; SMN2 2005/4885CNR1 2/4885

“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.