SCHEMBL15066176

SCHEMBL15066176

COc1ccc(-c2cc3ccc(N4CCNCC4)cc3oc2=O)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
ALK Q9UM73 1/20 0.53
TLR9 Q9NR96 1/20 0.52
TLR7 Q9NYK1 1/20 0.52
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ADRB1 P08588 3/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MAOB P27338 4/20 0.46
MAOA P21397 2/20 0.46
ADORA3 P0DMS8 1/20 0.45
MIF P14174 2/20 0.45
ABCB1 P08183 1/20 0.44

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
SCHEMBL15067291 0.87 ALK (0.47) HTR1AHTR1DHTR1BALKTLR9
SCHEMBL15065913 0.87 ALK (0.47) HTR1AHTR1DHTR1BALKTLR9
SCHEMBL15067369 0.86 NPC1 (0.60) HTR1AHTR1DHTR1BALKTLR9
SCHEMBL15066501 0.83 MIF (0.62) HTR1AHTR1DHTR1BALKNPC1
SCHEMBL15068980 0.82 ADRB1 (0.49) HTR1AHTR1DHTR1BALKNPC1
SCHEMBL15067156 0.82 NPC1 (0.61) HTR1AHTR1DHTR1BALKTLR9
SCHEMBL15067258 0.81 ACVR1 (0.45) HTR1AHTR1DHTR1BALKMIF
SCHEMBL15066951 0.80 NPC1 (0.51) HTR1AHTR1DHTR1BALKTLR9
SCHEMBL15066618 0.80 ACVR1 (0.53) HTR1AHTR1DHTR1BALKTLR9
SCHEMBL16826606 0.80 NPC1 (0.40) HTR1AHTR1DHTR1BALKTLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47689-E1 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2019-11-05 US claimed
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP claimed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US claimed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 US claimed
EP-2797592-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-11-05 EP claimed
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO claimed
US-RE47689-E1 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2019-11-05 US disclosed
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP disclosed
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP disclosed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US disclosed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US disclosed
WO-2015095449-A1 METHODS FOR MODULATING THE AMOUNT RNA TRANSCRIPTS PTC THERAPEUTICS, INC. (US) 2015-06-25 WO disclosed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 US disclosed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 US disclosed
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 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-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, RBM17, RBM22 HTR1A 2954/4885HTR1D 3500/4885HTR1B 2273/4885

“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.