SCHEMBL15068821

SCHEMBL15068821

O=C(O)N1CCN(c2ccc3cc(-c4noc(-c5ccccc5)n4)c(=O)oc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.48
▸ MAPT P10636 9/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ SLC16A3 O15427 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HKDC1 Q2TB90 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MIF P14174 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ CYP2C9 P11712 1/20 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
SCHEMBL16674783 0.88 MAPT (0.52) DGAT1MAPTNPC1KDM4ERAB9A
SCHEMBL15068885 0.88 BACE1 (0.47) DGAT1MAPTNPC1KDM4ERAB9A
SCHEMBL15068823 0.87 MAPT (0.51) DGAT1MAPTNPC1KDM4ERAB9A
SCHEMBL21291686 0.75 NPC1 (0.61) MAPTNPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL15065850 0.74 SLC16A3 (0.43) MAPTKDM4ESLC16A3TP53ALDH1A1
SCHEMBL15065814 0.72 SLC16A3 (0.41) MAPTNPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL2892698 0.71 DGAT1 (0.47) DGAT1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15065805 0.71 SLC16A3 (0.43) MAPTNPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL15065820 0.69 SLC16A3 (0.57) MAPTKDM4ERAB9ASLC16A3ALDH1A1
SCHEMBL16669729 0.69 SLC16A3 (0.57) MAPTKDM4ERAB9ASLC16A3ALDH1A1

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
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
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 — — US disclosed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 — — US disclosed
EP-2797592-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-11-05 — — EP 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 DGAT1 3543/4885MAPT 1125/4885NPC1 4329/4885

“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.

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