SCHEMBL12660652

SCHEMBL12660652

CN1CCc2c([nH]c3ccccc23)C1CN[C@H](C(=O)OC1CCCC1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.45
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.42
▸ ADRA2A P08913 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ LMNA P02545 4/20 0.41
▸ TP53 P04637 2/20 0.40
▸ MMP2 P08253 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ ANPEP P15144 2/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ LAP3 P28838 1/20 0.40
▸ NPEPPS P55786 1/20 0.40
▸ ERAP2 Q6P179 1/20 0.40
▸ ERAP1 Q9NZ08 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ HTR1A P08908 2/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 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
SCHEMBL1491485 0.86 ABCB1 (0.44) ABCB1ABCG2KDM4EADRA2AADRA1A
SCHEMBL1491499 0.82 HDAC1 (0.48) ABCB1ABCG2KDM4ELMNATP53
SCHEMBL1491496 0.82 HDAC1 (0.48) ABCB1ABCG2KDM4ELMNATP53
SCHEMBL12660654 0.82 KDM4E (0.45) ABCB1ABCG2KDM4EADRA2AADRA1A
SCHEMBL8252712 0.72 HDAC1 (0.51) ABCB1ABCG2KDM4EADRA2AADRA1A
SCHEMBL11469062 0.71 ABCB1 (0.49) ABCB1ABCG2KDM4EADRA2AADRA1A
SCHEMBL1491403 0.71 HDAC1 (0.48) ABCB1ABCG2KDM4ELMNATP53
SCHEMBL1491400 0.71 HDAC1 (0.48) ABCB1ABCG2KDM4ELMNATP53
SCHEMBL4418423 0.70 MEN1 (0.47) LMNATP53MMP2MMP9ANPEP
SCHEMBL11474393 0.70 KDM4E (0.48) ABCB1ABCG2KDM4EADRA1ALMNA

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-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 — — US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 — — US disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 — — 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 (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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 ABCB1 1614/4885ABCG2 2830/4885KDM4E 260/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 ABCB1 3646/4885ABCG2 3681/4885KDM4E 872/4885

“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.

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