SCHEMBL3197741

SCHEMBL3197741

CC(C)(CCCCC(=O)N1CCOCC1)c1ccc(-c2ccccc2CNC(=O)c2cnccn2)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 1/20 0.38
RAB9A P51151 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PIK3CD O00329 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
GFER P55789 1/20 0.36
ROCK2 O75116 2/20 0.36
SCN10A Q9Y5Y9 2/20 0.35
NPC1 O15118 1/20 0.35
SCN2A Q99250 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3180149 0.90 RAB9A (0.38) POLBALDH1A1RAB9ACNR1CNR2
SCHEMBL3180977 0.89 ALDH1A1 (0.55) POLBALDH1A1RAB9ACNR1CNR2
SCHEMBL3259859 0.87 CNR1 (0.36) POLBALDH1A1RAB9ACNR1CNR2
SCHEMBL3190881 0.87 ROCK2 (0.41) ALDH1A1CNR1CNR2ROCK2
SCHEMBL3199031 0.87 ALDH1A1 (0.43) POLBCYP1A2CYP2C19ALDH1A1RAB9A
SCHEMBL13255045 0.85 CNR1 (0.36) POLBALDH1A1RAB9ACNR1CNR2
SCHEMBL13418683 0.85 LMNA (0.37) POLBALDH1A1RAB9ACNR1CNR2
SCHEMBL3191823 0.85 ACE2 (0.37) POLBALDH1A1RAB9ACNR1CNR2
SCHEMBL3180971 0.84 CNR1 (0.43) POLBALDH1A1RAB9ACNR1CNR2
SCHEMBL3188763 0.84 CNR1 (0.37) POLBALDH1A1RAB9ACNR1CNR2

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 POLB 3506/4885CYP1A2 1830/4885CYP3A4 1925/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 POLB 3506/4885CYP1A2 1830/4885CYP3A4 1925/4885

“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.