SCHEMBL1259435

SCHEMBL1259435

CC(=O)C1(c2ccccc2)CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)n2C)CC1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.55
CNR1 P21554 7/20 0.50
CNR2 P34972 5/20 0.50
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TACR2 P21452 1/20 0.41
TACR3 P29371 1/20 0.41

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
SCHEMBL1127886 0.87 CNR1 (0.55) TACR1CNR1CNR2TACR2
SCHEMBL1127425 0.82 CNR1 (0.51) TACR1CNR1CNR2TACR2
SCHEMBL1990424 0.82 CNR1 (0.51) TACR1CNR1CNR2TACR2
SCHEMBL1990009 0.81 CNR1 (0.49) TACR1CNR1CNR2TACR2
SCHEMBL1127599 0.81 CNR1 (0.49) TACR1CNR1CNR2TACR2
SCHEMBL5099220 0.81 TACR1 (0.47) TACR1CNR1CNR2CA12CA1
SCHEMBL1260389 0.79 CNR1 (0.53) TACR1CNR1CNR2CA12CA1
SCHEMBL5099240 0.79 TACR1 (0.46) TACR1CNR1CNR2CA12CA1
SCHEMBL1983795 0.79 CNR1 (0.46) TACR1CNR1CNR2TACR2
SCHEMBL1260541 0.77 CNR1 (0.60) CNR1

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-7879902-B2 Psychological disorders; eating disorders; metabolism disorders; cognition activators; alcoholism; drug abruse thereapy SANOFI-AVENTIS (FR) 2011-02-01 US claimed
US-20080194581-A1 PYRROLE DERIVATIVES, INTERMEDIATES THEREFOR, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-08-14 US claimed
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-06-28 US claimed
US-7879902-B2 Psychological disorders; eating disorders; metabolism disorders; cognition activators; alcoholism; drug abruse thereapy SANOFI-AVENTIS (FR) 2011-02-01 US disclosed
US-20080194581-A1 PYRROLE DERIVATIVES, INTERMEDIATES THEREFOR, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-08-14 US disclosed
US-7381727-B2 Pyrrole derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2008-06-03 US disclosed
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-06-28 US disclosed
EP-1781636-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2007-05-09 EP disclosed
WO-2006024777-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2006-03-09 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 (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-20080194581-A1 PYRROLE DERIVATIVES, INTERMEDIATES THEREFOR, PREPARATION AND THERAPEUTIC USE THEREOF PYCR1, FARS2, WEE1 TACR1 355/4885CNR1 543/4885CNR2 846/4885
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE PYCR1, PRMT9, PRLHR TACR1 80/4885CNR1 125/4885CNR2 310/4885

“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.