SCHEMBL5259881

SCHEMBL5259881

[CH2]C1(c2ccccc2)CCN(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.55
DRD4 P21917 1/20 0.55
OPRD1 P41143 2/20 0.45
KCNH2 Q12809 2/20 0.45
SLC22A1 O15245 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRK1 P41145 1/20 0.45
TSHR P16473 1/20 0.42
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL498013 0.79 OPRM1 (0.44) OPRM1SLC6A4OPRK1KMT2A
SCHEMBL11738164 0.78 OPRM1 (0.77) OPRM1DRD4OPRD1KCNH2SLC22A1
Hydrochloric Acid SCHEMBL11747049 0.77 OPRM1 (0.74) OPRM1DRD4OPRD1KCNH2SLC22A1
SCHEMBL684582 0.77 OPRD1 (0.62) OPRM1DRD4OPRD1KCNH2SLC22A1
SCHEMBL153569 0.75 OPRL1 (0.59) OPRM1DRD4OPRD1OPRK1
SCHEMBL6924365 0.75 OPRM1 (0.55) OPRM1DRD4OPRD1KCNH2SLC22A1
SCHEMBL22879343 0.75 OPRM1 (0.55) OPRM1DRD4OPRD1KCNH2SLC22A1
SCHEMBL56772 0.75 OPRM1 (0.60) OPRM1DRD4OPRD1KCNH2SLC22A1
SCHEMBL497951 0.75 DPP4 (0.46) OPRM1OPRD1KCNH2SLC6A4GRIN1
SCHEMBL5925064 0.75 DPP4 (0.41) OPRM1KCNH2SLC6A4OPRK1GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307458-B1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES ALMIRALL LAB (ES) 2007-10-03 EP disclosed
US-7060824-B2 Pyrrolotriazolopyrimidinone derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-06-13 US disclosed
US-7034016-B2 8-phenyl-6,9-dihydro-[1,2,4]triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-04-25 US disclosed
CN-1198825-C 8-phenyl-6, 9-dihydro- [1,2,4] triazolo [3, 4-i ] purin-5-one derivatives ALMIRALL PRODESFARM S A (ES) 2005-04-27 CN disclosed
US-20040019034-A1 Pyrrolotriazolopyrimidinone derivatives VIDAL JUAN BERNAT (ES) 2004-01-29 US disclosed
EP-1198464-B1 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2003-10-08 EP disclosed
US-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2003-03-27 US disclosed
CN-1374962-A 8-phenyl-6,9-dihydro-[1,2,4]triazolo[3,4-i] purin-5-one derivatives ALMIRALL PRODESFARM S A (ES) 2002-10-16 CN 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-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives HYOU1, CHN2, PURB OPRM1 7/4885DRD4 1393/4885OPRD1 40/4885
US-20040019034-A1 Pyrrolotriazolopyrimidinone derivatives PDE5A, PDE3A, PDE2A OPRM1 1849/4885DRD4 3367/4885OPRD1 912/4885

“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.