SCHEMBL3198111

SCHEMBL3198111

CC(C)(CCCCC(=O)N1CCOCC1)c1ccc(-c2cccc(CNC(=O)c3ccco3)c2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
CNR1 P21554 5/20 0.40
CNR2 P34972 5/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.37
GFER P55789 1/20 0.37
IDO1 P14902 1/20 0.37
ROCK2 O75116 1/20 0.36
MAPT P10636 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL3200393 0.89 CNR1 (0.40) ALDH1A1CNR1CNR2RAB9APOLB
SCHEMBL3197647 0.89 ACE2 (0.39) ALDH1A1CNR1CNR2RAB9APOLB
SCHEMBL3188631 0.88 CNR1 (0.45) ALDH1A1HPGDCNR1CNR2TDP1
SCHEMBL3191831 0.88 GFER (0.39) ALDH1A1CNR1CNR2KMT2ATDP1
SCHEMBL3199174 0.87 CNR1 (0.42) CNR1CNR2RAB9APOLB
SCHEMBL3181406 0.87 CNR1 (0.38) CNR1CNR2RAB9APOLBROCK2
SCHEMBL13255036 0.87 CNR1 (0.38) ALDH1A1CNR1CNR2RAB9APOLB
SCHEMBL3190077 0.86 ALPL (0.42) ALDH1A1HPGDCNR1CNR2MEN1
SCHEMBL3192976 0.86 CNR1 (0.39) ALDH1A1CNR1CNR2RAB9APOLB
SCHEMBL3205422 0.86 CYP1A2 (0.42) CNR1CNR2RAB9APOLBROCK2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 2685/4885HPGD 813/4885CNR1 2/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 ALDH1A1 2685/4885HPGD 813/4885CNR1 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.