SCHEMBL3205422

SCHEMBL3205422

Cc1cc(C(=O)NCc2cccc(-c3ccc(C(C)(C)CCCCC(=O)N4CCOCC4)cc3O)c2)no1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.40
CNR1 P21554 5/20 0.39
CNR2 P34972 5/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
PSMB5 P28074 1/20 0.37
ROCK2 O75116 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
PPARA Q07869 1/20 0.35
ABCB1 P08183 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
SCHEMBL3189074 0.89 CNR1 (0.39) CYP1A2CYP2C19CNR1CNR2RAB9A
SCHEMBL3180947 0.88 MMP13 (0.40) CYP2C19CNR1CNR2ROCK2PPARA
SCHEMBL13418625 0.88 CNR1 (0.38) CNR1CNR2RAB9AROCK2POLB
SCHEMBL3197970 0.88 IKBKB (0.39) CNR1CNR2RAB9AROCK2POLB
SCHEMBL3197647 0.87 ACE2 (0.39) CNR1CNR2RAB9ANPC1ROCK2
SCHEMBL3190881 0.87 ROCK2 (0.41) CNR1CNR2ROCK2SMN1; SMN2
SCHEMBL3190077 0.87 ALPL (0.42) CNR1CNR2RAB9AROCK2MAPT
SCHEMBL3199031 0.87 ALDH1A1 (0.43) CYP1A2CYP2D6CYP2C19TSHRCNR1
SCHEMBL3198111 0.86 ALDH1A1 (0.41) CNR1CNR2RAB9AROCK2MAPT
SCHEMBL3188631 0.85 CNR1 (0.45) CNR1CNR2RAB9AMAPTPOLB

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 5 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-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 CYP1A2 1830/4885CYP2D6 1533/4885CYP2C19 1669/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 CYP1A2 1830/4885CYP2D6 1533/4885CYP2C19 1669/4885

“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.