SCHEMBL3189074

SCHEMBL3189074

Cc1cnc(C(=O)NCc2cccc(-c3ccc(C(C)(C)CCCCC(=O)N4CCOCC4)cc3O)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.39
CNR2 P34972 6/20 0.39
ROCK2 O75116 3/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL3190881 0.91 ROCK2 (0.41) CNR1CNR2ROCK2ALDH1A1SMN1; SMN2
SCHEMBL3205422 0.89 CYP1A2 (0.42) CNR1CNR2ROCK2POLBRAB9A
SCHEMBL3180947 0.88 MMP13 (0.40) CNR1CNR2ROCK2CYP3A4CYP2C9
SCHEMBL13418625 0.88 CNR1 (0.38) CNR1CNR2ROCK2POLBRAB9A
SCHEMBL3197970 0.87 IKBKB (0.39) CNR1CNR2ROCK2POLBRAB9A
SCHEMBL3180149 0.87 RAB9A (0.38) CNR1CNR2POLBRAB9AALDH1A1
SCHEMBL3198111 0.86 ALDH1A1 (0.41) CNR1CNR2ROCK2POLBRAB9A
SCHEMBL3193817 0.85 ALDH1A1 (0.53) CNR1CNR2ROCK2ALDH1A1MAPT
SCHEMBL3197647 0.85 ACE2 (0.39) CNR1CNR2ROCK2POLBRAB9A
SCHEMBL3188631 0.85 CNR1 (0.45) CNR1CNR2POLBRAB9AALDH1A1

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 6 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 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 CNR1 2/4885CNR2 1/4885ROCK2 2399/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 CNR1 2/4885CNR2 1/4885ROCK2 2399/4885

“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.