SCHEMBL2540304

SCHEMBL2540304

CC(C)(C)OC(=O)N1CCC[C@H]2CN(C(c3ccccc3)c3ccccc3)C[C@H]21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.45
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
GPR119 Q8TDV5 2/20 0.42
HCRTR2 O43614 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
UCHL1 P09936 2/20 0.40
RIPK1 Q13546 1/20 0.40
NPC1 O15118 1/20 0.40
KLK7 P49862 1/20 0.39
CYP2D6 P10635 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL2540303 1.00 CCR5 (0.45) CCR5NR1H2NR1H3GPR119HCRTR2
SCHEMBL696712 0.90 CCR5 (0.45) CCR5NR1H2NR1H3GPR119HCRTR2
SCHEMBL15000993 0.79 GPR119 (0.64) GPR119NPC1HTT
SCHEMBL17754587 0.78 GPR119 (0.49) NR1H2GPR119MEN1KMT2ACYP2D6
SCHEMBL2381394 0.78 AGTR2 (0.48) CCR5NR1H2NR1H3GPR119HCRTR2
SCHEMBL1983287 0.78 AGTR2 (0.48) CCR5NR1H2NR1H3GPR119HCRTR2
SCHEMBL1984795 0.78 AGTR2 (0.48) CCR5NR1H2NR1H3GPR119HCRTR2
SCHEMBL4956504 0.76 TSHR (0.44) HCRTR2MEN1KMT2A
SCHEMBL4956510 0.76 TSHR (0.44) HCRTR2MEN1KMT2A
SCHEMBL18271394 0.75 SLC6A9 (0.56) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 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 (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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D CCR5 3021/4885NR1H2 719/4885NR1H3 1153/4885

“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.