SCHEMBL1127694

SCHEMBL1127694

Cn1c(C(=O)N2CCC(NCc3ccc(F)cc3)(C(N)=O)CC2)cc(-c2ccccc2Cl)c1-c1ccc(OCCCO)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.40
HTR1A P08908 3/20 0.36
HTR7 P34969 2/20 0.35
CNR2 P34972 1/20 0.35
ADAMTS7 Q9UKP4 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
BACE1 P56817 2/20 0.35
CTSD P07339 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
DRD2 P14416 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL1987339 0.97 CNR1 (0.41) CNR1HTR1AHTR7CNR2ADAMTS7
SCHEMBL1985069 0.94 CNR1 (0.42) CNR1CNR2BACE1CTSDBACE2
SCHEMBL1987361 0.93 CNR1 (0.40) CNR1HTR1ACNR2ADAMTS7ADAMTS5
SCHEMBL1985030 0.92 CNR1 (0.41) CNR1HTR1ACNR2ADAMTS7ADAMTS5
SCHEMBL1128273 0.91 CNR1 (0.43) CNR1HTR1AHTR7CNR2KCNH2
SCHEMBL1128022 0.90 CNR1 (0.40) CNR1HTR1ACNR2ADAMTS7ADAMTS5
SCHEMBL1988692 0.90 CNR1 (0.46) CNR1HTR1ACNR2
SCHEMBL1127431 0.86 CNR1 (0.42) CNR1HTR1ACNR2
SCHEMBL1994923 0.85 CNR1 (0.40) CNR1CNR2ADAMTS7ADAMTS5
SCHEMBL2159649 0.84 CNR1 (0.40) CNR1HTR1AHTR7ADAMTS7ADAMTS5

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283008-B1 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2011-11-02 EP claimed
US-20110144157-A1 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-16 US claimed
EP-2283008-A2 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF Sanofi-aventis (FR) 2011-02-16 EP claimed
WO-2009141533-A2 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-11-26 WO claimed
US-8383666-B2 Pyrrole derivatives, preparation of same and therapeutic application thereof SANOFI (FR) 2013-02-26 US disclosed
US-8383666-B2 Pyrrole derivatives, preparation of same and therapeutic application thereof SANOFI (FR) 2013-02-26 US disclosed
US-8383666-B2 Pyrrole derivatives, preparation of same and therapeutic application thereof SANOFI (FR) 2013-02-26 US disclosed
EP-2283008-B1 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2011-11-02 EP disclosed
US-20110144157-A1 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
US-20110144157-A1 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
US-20110144157-A1 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
EP-2283008-A2 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF Sanofi-aventis (FR) 2011-02-16 EP disclosed
WO-2009141533-A2 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-11-26 WO 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 (1 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-20110144157-A1 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF ARG2, PYCR1, ARG1 CNR1 548/4885HTR1A 3180/4885HTR7 3318/4885

“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.