SCHEMBL681145

SCHEMBL681145

C=C(C(C)C)[C@H](CNC1CCN(C(C)=O)CC1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MITF O75030 1/20 0.41
AKT3 Q9Y243 6/20 0.41
AKT2 P31751 5/20 0.41
AKT1 P31749 4/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR1 P32246 1/20 0.39
PDCD1LG2 Q9BQ51 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
LMNA P02545 1/20 0.39
PTBP1 P26599 1/20 0.39
HPGD P15428 1/20 0.39
EPHX2 P34913 1/20 0.38
CYP3A4 P08684 1/20 0.38
ABCB11 O95342 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
SCHEMBL681305 0.93 OPRL1 (0.41) OPRL1MEN1KMT2AMITFAKT3
SCHEMBL681689 0.93 OPRL1 (0.41) OPRL1MEN1KMT2AMITFAKT3
SCHEMBL681206 0.90 OPRL1 (0.44) OPRL1MEN1KMT2AMITFAKT3
SCHEMBL684412 0.88 OPRL1 (0.46) OPRL1MEN1KMT2AMITFAKT3
SCHEMBL681566 0.87 MEN1 (0.40) MEN1KMT2AMITFAKT3AKT2
SCHEMBL8225314 0.86 OPRL1 (0.44) OPRL1MEN1KMT2AMITFAKT3
SCHEMBL680942 0.83 CCR1 (0.43) OPRL1MEN1KMT2AMITFAKT3
SCHEMBL679642 0.83 CCR1 (0.43) OPRL1MEN1KMT2AMITFAKT3
SCHEMBL680141 0.83 AKT3 (0.45) AKT3AKT2AKT1ALDH1A1KDM4E
SCHEMBL680114 0.82 BRD4 (0.42) MEN1KMT2AMITFAKT3AKT2

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-8846681-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed
US-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-10-06 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-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 OPRL1 3499/4885MEN1 2182/4885KMT2A 2785/4885

“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.