SCHEMBL3190195

SCHEMBL3190195

CCNC(=O)NCc1cccc(-c2ccc(C(C)(C)CCCNC(=O)c3cccnc3)cc2O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
RAB9A P51151 2/20 0.48
NPC1 O15118 2/20 0.43
EPHX2 P34913 1/20 0.43
F3 P13726 1/20 0.42
PTAFR P25105 5/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
PPID Q08752 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
FES P07332 1/20 0.40
RET P07949 1/20 0.40
MARK3 P27448 1/20 0.40
TYK2 P29597 1/20 0.40
FLT4 P35916 1/20 0.40

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
Hydrochloric Acid SCHEMBL3194128 0.99 CNR1 (0.49) CNR1CNR2RAB9ANPC1EPHX2
SCHEMBL3204056 0.88 EGFR (0.44) RAB9ANPC1EPHX2PTAFRALDH1A1
SCHEMBL3189086 0.84 CNR1 (0.45) CNR1CNR2F3PPID
SCHEMBL13454080 0.84 PTAFR (0.45) RAB9ANPC1EPHX2F3PTAFR
SCHEMBL3194373 0.82 CNR1 (0.46) CNR1CNR2F3PPID
SCHEMBL3188478 0.81 CNR1 (0.43) CNR1CNR2F3
SCHEMBL3187161 0.81 CNR1 (0.45) CNR1CNR2PPID
SCHEMBL3187206 0.81 CNR1 (0.61) CNR1CNR2
SCHEMBL3188668 0.81 CNR1 (0.50) CNR1CNR2PPID
SCHEMBL3193817 0.80 ALDH1A1 (0.53) CNR1CNR2NPC1ALDH1A1LMNA

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 CNR1 2/4885CNR2 1/4885RAB9A 2079/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 CNR1 2/4885CNR2 1/4885RAB9A 2079/4885

“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.