SCHEMBL681263

SCHEMBL681263

C=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(Br)cc1F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
OPRM1 P35372 3/20 0.34
ALDH1A1 P00352 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
AKT3 Q9Y243 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
APLNR P35414 4/20 0.33
PRKD1 Q15139 1/20 0.33
OPRL1 P41146 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
P2RX7 Q99572 1/20 0.31

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
SCHEMBL681306 0.89 ALDH1A1 (0.38) KMT2AALDH1A1AKT1AKT2AKT3
SCHEMBL17803816 0.88 OPRL1 (0.34) AKT1AKT2AKT3OPRL1PTGS1
SCHEMBL681626 0.87 OPRL1 (0.44) OPRM1AKT1AKT2AKT3CNR2
SCHEMBL16151916 0.87 ALDH1A1 (0.37) KMT2AALDH1A1AKT1AKT2AKT3
SCHEMBL681781 0.85 PDE2A (0.42) ALDH1A1CNR1CNR2
SCHEMBL8223265 0.84 ALDH1A1 (0.37) KMT2AALDH1A1AKT1AKT2AKT3
SCHEMBL681242 0.82 AKT1 (0.37) ALDH1A1AKT1AKT2AKT3PRKD1
SCHEMBL681770 0.80 AKT1 (0.40) AKT1AKT2AKT3PRKD1OPRL1
SCHEMBL12194528 0.80 AKT1 (0.40) AKT1AKT2AKT3PRKD1OPRL1
SCHEMBL681362 0.78 ADRB2 (0.40) APLNRAAK1FPR2

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 KMT2A 1884/4885OPRM1 3168/4885ALDH1A1 1715/4885

“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.