SCHEMBL2165486

SCHEMBL2165486

COc1ccccc1CC1CCC(CO)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.44
GNAI3 P08754 1/20 0.43
GAA P10253 1/20 0.43
HTR1A P08908 5/20 0.43
SLC6A4 P31645 1/20 0.43
IDO1 P14902 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ADRA2A P08913 4/20 0.43
ADRA2B P18089 4/20 0.43
ADRA2C P18825 4/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL23886286 0.91 CYP2D6 (0.53) CYP2D6ALDH1A1HTR1ASLC6A4IDO1
SCHEMBL12404407 0.85 CYP2D6 (0.48) CYP2D6ALDH1A1HTR1ASLC6A4IDO1
SCHEMBL13504023 0.85 ALDH1A1 (0.57) CYP2D6ALDH1A1GAAHTR1ASLC6A4
SCHEMBL7446651 0.84 CYP2D6 (0.50) CYP2D6HPGDHTR1ASLC6A4IDO1
SCHEMBL1705710 0.83 GNAI3 (0.57) CYP2D6GNAI3HTR1ASLC6A4ADRA2A
Hydrochloric Acid SCHEMBL21632839 0.82 GNAI3 (0.56) CYP2D6ALDH1A1GNAI3HTR1ASLC6A4
SCHEMBL13503733 0.81 HTR1A (0.47) CYP2D6ALDH1A1HTR1ASLC6A4IDO1
SCHEMBL2164304 0.80 HPGD (0.52) CYP2D6ALDH1A1HPGDGAA
SCHEMBL2092672 0.80 CYP2D6 (0.47) CYP2D6ALDH1A1HTR1ASLC6A4IDO1
Acetic Acid SCHEMBL11160294 0.80 SMN1; SMN2 (0.53) CYP2D6HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069316-B1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2015-10-07 EP disclosed
EP-2615086-A1 2,4-Diaminoquinazolines for the treatment of spinal muscular atrophy Families of Spinal Muscular Atrophy (US) 2013-07-17 EP disclosed
US-7985755-B2 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-07-26 US disclosed
EP-2069316-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY Families of Spinal Muscular Atrophy (US) 2009-06-17 EP disclosed
US-20090042900-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2009-02-12 US disclosed
WO-2008016973-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2008-02-07 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-20090042900-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY SMN1; SMN2, MUSK, MYT1 CYP2D6 3869/4885ALDH1A1 1308/4885HPGD 2120/4885

“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.