SCHEMBL18794870

SCHEMBL18794870

O=C1COc2cc(OCc3ccc(OC(F)(F)F)cc3)ccc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.48
BRD4 O60885 1/20 0.47
CREBBP Q92793 1/20 0.47
AR P10275 1/20 0.47
NR3C2 P08235 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
PARP1 P09874 1/20 0.45

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
SCHEMBL18794867 0.87 MAOB (0.64) MAOBBRD4CREBBPNR3C2MEN1
SCHEMBL6757684 0.86 KIF11 (0.50) ADRB2ADRB1DRD4DRD3PARP1
SCHEMBL6295489 0.84 MAOB (0.62) MAOBBRD4CREBBPNPC1RAB9A
SCHEMBL18794868 0.84 MAOB (0.48) MAOBBRD4CREBBPNR3C2MEN1
SCHEMBL21412923 0.80 MAOB (0.46) MAOBARNPC1RAB9ASMN1; SMN2
SCHEMBL704966 0.76 MMP12 (0.55) NR3C2PKMKMT2ASMN1; SMN2PARP1
SCHEMBL5496459 0.74 MAOB (0.61) MAOBCREBBPNR3C2NPC1RAB9A
SCHEMBL13932091 0.74 NR3C2 (0.58) NR3C2PKMKMT2ASMN1; SMN2PARP1
SCHEMBL4259476 0.74 NR3C2 (0.58) NR3C2PKMKMT2ASMN1; SMN2PARP1
SCHEMBL24508418 0.74 PDE3B (0.57) MAOBBRD4CREBBPADRB2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428030-B2 Heterocycle derivatives and their use for the treatment of CNS disorders Trillium Therapeutics (CA) 2019-10-01 US claimed
US-20180312480-A1 HETEROCYCLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS TRILLIUM THERAPEUTICS INC. (CA) 2018-11-01 US claimed
EP-3371154-A1 HETEROCYCLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS Trillium Therapeutics Inc. (CA) 2018-09-12 EP claimed
WO-2017070796-A1 HETEROCYCLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS TRILLIUM THERAPEUTICS INC. (CA) 2017-05-04 WO claimed
WO-2021231933-A1 ANTI-EPILEPTIC PHARMACEUTICAL COMPOSITIONS AND USE THEREOF NEUCYTE PHARMACEUTICALS (US) 2021-11-18 WO disclosed
US-10428030-B2 Heterocycle derivatives and their use for the treatment of CNS disorders Trillium Therapeutics (CA) 2019-10-01 US disclosed
EP-3371154-A1 HETEROCYCLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS Trillium Therapeutics Inc. (CA) 2018-09-12 EP disclosed
WO-2017070796-A1 HETEROCYCLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS TRILLIUM THERAPEUTICS INC. (CA) 2017-05-04 WO disclosed
WO-2017070796-A1 HETEROCYCLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS TRILLIUM THERAPEUTICS INC. (CA) 2017-05-04 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 (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-20180312480-A1 HETEROCYCLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, ACHE, CNR1 MAOB 164/4885BRD4 1026/4885CREBBP 125/4885
US-10428030-B2 Heterocycle derivatives and their use for the treatment of CNS disorders GRIN2C, ACHE, CNR1 MAOB 164/4885BRD4 1026/4885CREBBP 125/4885

“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.