SCHEMBL3665994

SCHEMBL3665994

O=C(O)NCc1cccc2c1C1(CCN(Cc3ccccc3)CC1)CN2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.41
CYP2D6 P10635 3/20 0.41
SIGMAR1 Q99720 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM3 P20309 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
NPFFR1 Q9GZQ6 3/20 0.40
NPFFR2 Q9Y5X5 3/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
OPRL1 P41146 2/20 0.40
PRNP P04156 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6526247 0.94 HDAC1 (0.40) DRD4CYP2D6SIGMAR1L3MBTL1HDAC1
SCHEMBL3664887 0.84 MEN1 (0.45) DRD4CYP2D6SIGMAR1L3MBTL1CHRM2
SCHEMBL3668622 0.82 OPRL1 (0.53) CYP2D6SIGMAR1L3MBTL1CYP3A4TSHR
Hydrochloric Acid SCHEMBL3667689 0.81 POLB (0.44) CYP2D6SIGMAR1L3MBTL1CYP3A4TSHR
SCHEMBL3668098 0.77 POLB (0.46) CYP2D6SIGMAR1L3MBTL1CYP3A4TSHR
SCHEMBL3667492 0.76 CYP2D6 (0.44) CYP2D6SIGMAR1L3MBTL1CHRM2CHRM3
SCHEMBL3722865 0.75 OPRL1 (0.48) CYP2D6SIGMAR1L3MBTL1CYP3A4TSHR
Trifluoroacetic Acid SCHEMBL3721770 0.74 PRNP (0.46) CYP2D6CHRM2CHRM3CYP3A4TSHR
SCHEMBL6520201 0.74 CYP2D6 (0.42) CYP2D6SIGMAR1L3MBTL1CYP3A4TSHR
SCHEMBL29444526 0.74 MEN1 (0.44) CYP2D6SIGMAR1L3MBTL1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346805-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-05-24 US disclosed
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-21 US disclosed
EP-2240483-B1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-02-27 EP disclosed
US-8324221-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-03 US disclosed
EP-2240483-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-20 EP disclosed
WO-2009089454-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 WO 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-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, PIK3CA DRD4 4583/4885CYP2D6 1028/4885SIGMAR1 4392/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 DRD4 4496/4885CYP2D6 998/4885SIGMAR1 4323/4885

“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.