SCHEMBL1154800

SCHEMBL1154800

OC1(c2cccc(Cl)c2)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.57
SLC6A3 Q01959 6/20 0.57
SLC6A2 P23975 7/20 0.53
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
DRD2 P14416 2/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
CCR2 P41597 1/20 0.43
CCR1 P32246 2/20 0.43
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
CHRNA1 P02708 2/20 0.41
CHRNG P07510 2/20 0.41
CHRNB1 P11230 2/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41

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
SCHEMBL27681431 0.98 SLC6A4 (0.54) SLC6A4SLC6A3SLC6A2OPRM1OPRD1
SCHEMBL28323043 0.94 SLC6A3 (0.50) SLC6A4SLC6A3SLC6A2OPRM1OPRD1
SCHEMBL1155345 0.90 OPRM1 (0.50) SLC6A4SLC6A3SLC6A2OPRM1OPRD1
SCHEMBL11362121 0.81 OPRM1 (0.44) SLC6A4SLC6A3SLC6A2OPRM1OPRD1
SCHEMBL652461 0.81 DRD2 (0.62) SLC6A4SLC6A3SLC6A2OPRM1OPRD1
SCHEMBL11796632 0.80 KCNA3 (0.48) SLC6A4SLC6A3SLC6A2OPRM1OPRD1
SCHEMBL8959998 0.80 SLC6A3 (0.42) SLC6A4SLC6A3SLC6A2OPRM1OPRD1
SCHEMBL11560742 0.79 OPRD1 (0.52) SLC6A4SLC6A3SLC6A2OPRM1OPRD1
SCHEMBL21078101 0.79 OPRL1 (0.52) SLC6A4SLC6A3OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL9311181 0.79 SLC6A3 (0.41) SLC6A4SLC6A3SLC6A2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3121176-A1 2,4-DIAMINOQUINAZOLINES FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY Families of Spinal Muscular Atrophy (US) 2017-01-25 EP disclosed
EP-1765810-B1 2,4-DIAMINOQUINAZOLINES FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-08-17 EP disclosed
EP-2514748-B1 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-08-10 EP disclosed
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-06-02 US disclosed
US-9067897-B2 2,4-Diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2015-06-30 US disclosed
EP-2514748-A1 2,4-diaminoquinazolines for spinal muscular atrophy Families of Spinal Muscular Atrophy (US) 2012-10-24 EP disclosed
US-20110112118-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-05-12 US disclosed
US-7888366-B2 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-02-15 US disclosed
EP-1765810-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY Decode Chemistry, Inc. (US) 2007-03-28 EP disclosed
WO-2005123724-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2005-12-29 WO disclosed
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy DECODE CHEMISTRY, INC. (US) 2005-12-29 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 (3 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-20110112118-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B SLC6A4 1887/4885SLC6A3 1143/4885SLC6A2 931/4885
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B SLC6A4 1887/4885SLC6A3 1143/4885SLC6A2 931/4885
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy SMN1; SMN2, MUSK, MYO3B SLC6A4 1887/4885SLC6A3 1143/4885SLC6A2 931/4885

“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.