SCHEMBL681174

SCHEMBL681174

CC1CCN(C[C@@H](C(=O)C(C)C)c2ccc(OC(F)(F)F)c(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 7/20 0.45
▸ PDE2A O00408 10/20 0.42
▸ KCNH2 Q12809 1/20 0.39
▸ WNT3A P56704 1/20 0.38
▸ CACNA1H O95180 1/20 0.38

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
SCHEMBL681599 1.00 EPHX2 (0.45) EPHX2PDE2AKCNH2WNT3ACACNA1H
SCHEMBL681017 0.92 PDE2A (0.45) EPHX2PDE2AKCNH2
SCHEMBL680772 0.92 PDE2A (0.45) EPHX2PDE2AKCNH2
SCHEMBL681181 0.89 EPHX2 (0.43) EPHX2PDE2AKCNH2
SCHEMBL681600 0.89 PDE2A (0.44) EPHX2PDE2ACACNA1H
SCHEMBL681243 0.89 PDE2A (0.44) EPHX2PDE2ACACNA1H
SCHEMBL680796 0.88 PDE2A (0.43) EPHX2PDE2ACACNA1H
SCHEMBL679692 0.88 PDE2A (0.43) EPHX2PDE2ACACNA1H
SCHEMBL681018 0.88 PDE2A (0.43) EPHX2PDE2ACACNA1H
SCHEMBL681009 0.88 PDE2A (0.43) EPHX2PDE2ACACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 — — US disclosed
US-8853199-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-10-07 — — US disclosed
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2012-09-13 — — US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 — — 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-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 EPHX2 2203/4885PDE2A 1813/4885KCNH2 4688/4885

“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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