SCHEMBL3187490

SCHEMBL3187490

CC(C)NC(=O)NCc1ccccc1-c1ccc(C(C)(C)CCCCC(=O)N2CCOCC2)cc1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.39
CNR1 P21554 7/20 0.38
CNR2 P34972 7/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 1/20 0.35
PIN1 Q13526 1/20 0.35
TP53 P04637 1/20 0.35
STAT3 P40763 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FKBP1A P62942 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
SCHEMBL3180971 0.91 CNR1 (0.43) POLBRAB9ALMNACNR1CNR2
SCHEMBL3190487 0.90 CNR1 (0.41) POLBRAB9ALMNACNR1CNR2
SCHEMBL3189107 0.86 CNR1 (0.40) POLBRAB9ACNR1CNR2FKBP1A
SCHEMBL3190604 0.86 CNR1 (0.41) POLBRAB9ALMNACNR1CNR2
SCHEMBL3188763 0.86 CNR1 (0.37) POLBRAB9ALMNACNR1CNR2
SCHEMBL3202819 0.85 PKM (0.43) POLBRAB9ALMNACNR1CNR2
SCHEMBL13255046 0.85 RAB9A (0.40) POLBRAB9ALMNACNR1CNR2
SCHEMBL3191831 0.85 GFER (0.39) POLBRAB9ALMNACNR1CNR2
SCHEMBL3180943 0.84 MAPT (0.44) POLBRAB9ACNR1CNR2SMN1; SMN2
SCHEMBL3190061 0.84 SMN1; SMN2 (0.41) 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 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 POLB 3506/4885RAB9A 2079/4885LMNA 3145/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 POLB 3506/4885RAB9A 2079/4885LMNA 3145/4885

“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.