SCHEMBL38320

SCHEMBL38320

CCC1(CC)CCC(OC(=O)N2CC[C@H](C(=O)NCc3ccc(O)c(C)c3)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.41
ERCC4 Q92889 2/20 0.41
RAB9A P51151 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
EPHX2 P34913 2/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL38372 1.00 ERCC1 (0.41) ERCC1ERCC4RAB9AACHEBACE1
SCHEMBL38812 0.95 ERCC1 (0.45) ERCC1ERCC4ACHEBACE1EPHX2
SCHEMBL38403 0.94 ERCC1 (0.42) ERCC1ERCC4RAB9AACHEBACE1
SCHEMBL38420 0.91 ERCC1 (0.43) ERCC1ERCC4RAB9AACHEBACE1
SCHEMBL38434 0.91 ERCC1 (0.43) ERCC1ERCC4RAB9AACHEBACE1
SCHEMBL42201 0.90 ACHE (0.48) RAB9AACHEBACE1POLBALDH1A1
SCHEMBL43399 0.90 ACHE (0.48) RAB9AACHEBACE1POLBALDH1A1
SCHEMBL10104907 0.90 ACHE (0.48) RAB9AACHEBACE1POLBALDH1A1
SCHEMBL38325 0.87 ERCC1 (0.43) ERCC1ERCC4RAB9AACHEBACE1
SCHEMBL38311 0.87 ERCC1 (0.43) ERCC1ERCC4RAB9AACHEBACE1

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-8367835-B2 Cyclic amine-1-carboxylic acid ester derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-02-05 US disclosed
US-20120028937-A1 CYCLIC AMINE-1-CARBOXYLIC ACID ESTER DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 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-20120028937-A1 CYCLIC AMINE-1-CARBOXYLIC ACID ESTER DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME HRH3, ARG1, CNR1 ERCC1 3649/4885ERCC4 4645/4885RAB9A 1528/4885

“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.