SCHEMBL3044036

SCHEMBL3044036

OC1(Cc2ccc(Br)cc2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.49
GRIN3B O60391 3/20 0.49
ADRA1D P25100 3/20 0.49
ADRA1A P35348 3/20 0.49
ADRA1B P35368 3/20 0.49
GRIN1 Q05586 3/20 0.49
GRIN2A Q12879 3/20 0.49
GRIN2B Q13224 3/20 0.49
GRIN2C Q14957 3/20 0.49
GRIN3A Q8TCU5 3/20 0.49
MME P08473 2/20 0.39
OPRL1 P41146 3/20 0.38
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1773425 0.94 GRIN2D (0.48) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL20512445 0.91 GRIN2D (0.51) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL24933197 0.82 GRIN2D (0.46) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL578245 0.82 GRIN2D (0.46) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL16249349 0.79 GRIN2D (0.49) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL4206116 0.78 OPRL1 (0.56) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL24362269 0.78 GRIN2D (0.41) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL9135022 0.75 GRIN2D (0.49) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL12345530 0.75 ESR1 (0.47) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL735823 0.74 OPRL1 (0.56) GRIN2DGRIN3BADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393811-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES Pfizer Inc. (US) 2011-12-14 EP disclosed
WO-2010089686-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 WO disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 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-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CDK7, DPYD, DHFR GRIN2D 42/4885GRIN3B 278/4885ADRA1D 135/4885

“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.