SCHEMBL3190934

SCHEMBL3190934

CC(C)(CCCCC(=O)N1CCOCC1)c1ccc(-c2cccc(CNC(=O)C3CCCO3)c2)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CNR1 P21554 6/20 0.38
CNR2 P34972 6/20 0.38
ALPG P10696 1/20 0.36
POLB P06746 2/20 0.35
RAB9A P51151 1/20 0.35
PKM P14618 1/20 0.35
MTOR P42345 2/20 0.34
ACE P12821 1/20 0.34
CHRM3 P20309 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL3202819 0.87 PKM (0.43) CNR1CNR2ALPGPOLBRAB9A
SCHEMBL3199052 0.85 SMN1; SMN2 (0.40) ALDH1A1CNR1CNR2POLBRAB9A
SCHEMBL3188631 0.85 CNR1 (0.45) ALDH1A1CNR1CNR2POLBRAB9A
SCHEMBL3189107 0.85 CNR1 (0.40) CNR1CNR2POLBRAB9A
SCHEMBL3199174 0.85 CNR1 (0.42) CNR1CNR2POLBRAB9A
SCHEMBL3198111 0.83 ALDH1A1 (0.41) ALDH1A1CNR1CNR2POLBRAB9A
SCHEMBL3204049 0.82 CNR1 (0.41) ALDH1A1CNR1CNR2POLBRAB9A
SCHEMBL3187115 0.82 CNR1 (0.46) ALDH1A1CNR1CNR2POLBRAB9A
SCHEMBL3189074 0.82 CNR1 (0.39) ALDH1A1CNR1CNR2POLBRAB9A
SCHEMBL13255036 0.81 CNR1 (0.38) ALDH1A1CNR1CNR2POLBRAB9A

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 ALDH1A1 2685/4885CNR1 2/4885CNR2 1/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 ALDH1A1 2685/4885CNR1 2/4885CNR2 1/4885

“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.