SCHEMBL3205276

SCHEMBL3205276

CC(C)(CCCCC(=O)N1CCOCC1)c1ccc(-c2ccccc2CNC(=O)C2CCC(=O)N2)c(O)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 2/20 0.35
RAB9A P51151 1/20 0.35
P2RX7 Q99572 1/20 0.35
EPHX2 P34913 1/20 0.34
CNR1 P21554 5/20 0.34
CNR2 P34972 5/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM1A O60341 1/20 0.33
PSMB5 P28074 1/20 0.33
PSMB8 P28062 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
SCHEMBL3199052 0.87 SMN1; SMN2 (0.40) SMN1; SMN2LMNAPOLBRAB9ACNR1
SCHEMBL3202819 0.85 PKM (0.43) LMNAPOLBRAB9ACNR1CNR2
SCHEMBL3180971 0.84 CNR1 (0.43) SMN1; SMN2LMNAPOLBRAB9ACNR1
SCHEMBL3190487 0.84 CNR1 (0.41) SMN1; SMN2LMNAPOLBRAB9ACNR1
SCHEMBL3187490 0.82 POLB (0.39) SMN1; SMN2LMNAPOLBRAB9ACNR1
SCHEMBL13255046 0.81 RAB9A (0.40) SMN1; SMN2LMNAPOLBRAB9ACNR1
SCHEMBL3191831 0.80 GFER (0.39) SMN1; SMN2LMNAPOLBRAB9ACNR1
SCHEMBL3180149 0.80 RAB9A (0.38) SMN1; SMN2LMNAPOLBRAB9ACNR1
SCHEMBL3198812 0.80 CNR1 (0.44) SMN1; SMN2LMNAPOLBRAB9ACNR1
SCHEMBL13255043 0.80 POLB (0.37) SMN1; SMN2LMNAPOLBRAB9ACNR1

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 SMN1; SMN2 2005/4885LMNA 3145/4885POLB 3506/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 SMN1; SMN2 2005/4885LMNA 3145/4885POLB 3506/4885

“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.