SCHEMBL3187115

SCHEMBL3187115

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.46
CNR2 P34972 13/20 0.46
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
FKBP1A P62942 1/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL13254998 0.90 RAB9A (0.42) CNR1CNR2POLBRAB9AFKBP1A
SCHEMBL3187098 0.87 CNR1 (0.46) CNR1CNR2POLBRAB9AMAPT
SCHEMBL3188631 0.86 CNR1 (0.45) CNR1CNR2POLBRAB9AFKBP1A
SCHEMBL3204049 0.86 CNR1 (0.41) CNR1CNR2POLBRAB9AFKBP1A
SCHEMBL3199174 0.86 CNR1 (0.42) CNR1CNR2POLBRAB9AFKBP1A
SCHEMBL3189107 0.84 CNR1 (0.40) CNR1CNR2POLBRAB9AFKBP1A
SCHEMBL3198111 0.84 ALDH1A1 (0.41) CNR1CNR2POLBRAB9AMAPT
SCHEMBL3198812 0.83 CNR1 (0.44) CNR1CNR2POLBRAB9AFKBP1A
SCHEMBL13255036 0.82 CNR1 (0.38) CNR1CNR2POLBRAB9AALDH1A1
SCHEMBL3197647 0.82 ACE2 (0.39) CNR1CNR2POLBRAB9AMAPT

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 4 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-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-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 CNR1 2/4885CNR2 1/4885POLB 3506/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 CNR1 2/4885CNR2 1/4885POLB 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.