SCHEMBL1337573

SCHEMBL1337573

CC(C)C[C@@H](C(N)=O)N(C)[C@H]1CC[C@@H]2CN(c3ccccc3C#N)C[C@@H]21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.40
BRD4 O60885 1/20 0.37
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
HTR7 P34969 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
ADAM17 P78536 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
MC4R P32245 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
KMT2A Q03164 1/20 0.32
CACNA1B Q00975 2/20 0.32
CHRM4 P08173 1/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL1335234 0.87 NOTUM (0.37) MC4RCACNA1BDRD2DRD3
SCHEMBL1337326 0.87 KDM4E (0.38) HCRTR2KMT2ACACNA1B
SCHEMBL1337119 0.85 CACNA1B (0.35) HTR7TMEM97MC4RCACNA1B
SCHEMBL1336446 0.85 DRD3 (0.38) BRD4HTR7TMEM97DRD2DRD3
SCHEMBL1336400 0.84 CACNA1B (0.39) DPP4DPP8DPP9DPP7HTR7
SCHEMBL1337180 0.83 AOC3 (0.35) HCRTR1HCRTR2CACNA1BCHRM4
SCHEMBL1337352 0.83 NOTUM (0.41) HTR7TMEM97CACNA1BCHRM4DRD2
SCHEMBL1336552 0.80 NOTUM (0.42) CACNA1B
SCHEMBL66897 0.79 GRIN2B (0.42) CACNA1B
SCHEMBL1336005 0.79 CACNA1B (0.40) MC4RKMT2ACACNA1B

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-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US claimed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 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-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S GRM1 927/4885BRD4 1124/4885DPP4 2480/4885

“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.