SCHEMBL3202819

SCHEMBL3202819

CC(C)(CCCCC(=O)N1CCOCC1)c1ccc(-c2ccccc2CNC(=O)C2CCCO2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.37
POLB P06746 2/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.35
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
ALPG P10696 1/20 0.35
KCNA3 P22001 1/20 0.34
KCNA5 P22460 1/20 0.34
NAMPT P43490 1/20 0.34
KDM1A O60341 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL3190934 0.87 ALDH1A1 (0.38) PKMPOLBRAB9ACNR1CNR2
SCHEMBL3180971 0.86 CNR1 (0.43) HPGDPOLBRAB9ALMNACNR1
SCHEMBL3187490 0.85 POLB (0.39) HPGDPOLBRAB9ALMNACNR1
SCHEMBL3205276 0.85 SMN1; SMN2 (0.38) HPGDPOLBRAB9ALMNACNR1
SCHEMBL3190487 0.85 CNR1 (0.41) HPGDPOLBRAB9ALMNACNR1
SCHEMBL13255046 0.82 RAB9A (0.40) HPGDPOLBRAB9ALMNACNR1
SCHEMBL3191831 0.81 GFER (0.39) POLBRAB9ALMNACNR1CNR2
SCHEMBL3180149 0.81 RAB9A (0.38) HPGDPOLBRAB9ALMNACNR1
SCHEMBL3198812 0.81 CNR1 (0.44) HPGDPOLBRAB9ALMNACNR1
SCHEMBL13255043 0.81 POLB (0.37) POLBRAB9ALMNACNR1CNR2

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 PKM 844/4885HPGD 813/4885POLB 3506/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 PKM 844/4885HPGD 813/4885POLB 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.