SCHEMBL5885356

SCHEMBL5885356

COc1ccc[c]c1N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.45
PRKDC P78527 4/20 0.44
AKR1C3 P42330 1/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 3/20 0.41
CYP2D6 P10635 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
PDE10A Q9Y233 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
SCHEMBL2481218 0.82 DRD2 (0.56) KDM4EALDH1A1SMN1; SMN2TSHRCYP2D6
SCHEMBL9189173 0.79 MAPT (0.45) CNR2PRKDCMAPTKDM4ENPC1
SCHEMBL3543964 0.78 LMNA (0.41) CNR2PRKDCAKR1C3MAPTKDM4E
SCHEMBL3541165 0.76 CNR2 (0.45) CNR2AKR1C3MAPTNPC1RAB9A
SCHEMBL28757513 0.75 LMNA (0.41) PRKDCMAPTKDM4ENPC1RAB9A
SCHEMBL3543532 0.75 ALDH1A1 (0.44) CNR2PRKDCMAPTKDM4ENPC1
SCHEMBL3545303 0.75 LMNA (0.41) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL10336535 0.74 NPY2R (0.51) ALDH1A1LMNASMN1; SMN2CYP2D6MEN1
SCHEMBL3173622 0.73 AKR1C3 (0.70) PRKDCAKR1C3MAPTKDM4EALDH1A1
SCHEMBL12527300 0.71 AKR1C3 (0.68) PRKDCAKR1C3MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115617-B2 Amino-substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2006-10-03 US claimed
EP-1418916-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Amgen Inc. (US) 2004-05-19 EP claimed
US-20030125346-A1 Amino-substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2003-07-03 US claimed
WO-2003018022-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AMGEN INC. (US) 2003-03-06 WO claimed
CN-101421234-A Is suitable for treating p-hydroxytryptamine 5HT6Heterocyclic aryl sulfones of receptor-modulated responsive disorders ABBOTT GMBH (DE) 2009-04-29 CN disclosed
US-7115617-B2 Amino-substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2006-10-03 US disclosed
EP-1418916-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Amgen Inc. (US) 2004-05-19 EP disclosed
US-20030125346-A1 Amino-substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
WO-2003018022-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AMGEN INC. (US) 2003-03-06 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 (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-20030125346-A1 Amino-substituted pyrimidinyl derivatives and methods of use TYMP, DPYD, TPMT CNR2 1043/4885PRKDC 1482/4885AKR1C3 1105/4885

“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.