SCHEMBL15980809

SCHEMBL15980809

CC(C)NCCc1ccc2ccc(Br)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
NOS1 P29475 10/20 0.37
NOS3 P29474 3/20 0.37
SIGMAR1 Q99720 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL15980815 0.90 SIGMAR1 (0.38) MTNR1AMTNR1BSIGMAR1
SCHEMBL14756201 0.83 TAAR1 (0.50) MTNR1AMTNR1BNOS1NOS3SIGMAR1
SCHEMBL15981509 0.78 MTNR1A (0.40) MTNR1AMTNR1BNOS1NOS3SIGMAR1
SCHEMBL8090972 0.76 SIGMAR1 (0.57) SIGMAR1
SCHEMBL14756193 0.74 TAAR1 (0.45) MTNR1AMTNR1B
SCHEMBL15980814 0.73 BACE1 (0.41)
SCHEMBL15980818 0.72 ALDH1A1 (0.43)
SCHEMBL15980813 0.72 NPC1 (0.35) SIGMAR1
SCHEMBL14756104 0.72 TAAR1 (0.49) MTNR1AMTNR1BNOS1SIGMAR1NOS2
SCHEMBL254706 0.71 TAAR1 (0.61) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 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 (3 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-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME BRDT, BRD2, BRD4 MTNR1A 3192/4885MTNR1B 3048/4885NOS1 4831/4885
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 MTNR1A 3223/4885MTNR1B 3368/4885NOS1 4630/4885
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME BRDT, BRD4, BRD1 MTNR1A 2707/4885MTNR1B 2542/4885NOS1 4223/4885

“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.