SCHEMBL1999535

SCHEMBL1999535

CC1c2c(ccc3[nH]ccc23)OCCN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.36
ATM Q13315 2/20 0.35
USP30 Q70CQ3 1/20 0.35
JAK1 P23458 7/20 0.34
JAK2 O60674 3/20 0.34
JAK3 P52333 3/20 0.34
TYK2 P29597 2/20 0.34
P2RX7 Q99572 1/20 0.33
PARP1 P09874 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
EPHX2 P34913 1/20 0.32
SCD5 Q86SK9 1/20 0.32
CNR1 P21554 1/20 0.32

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
Indole SCHEMBL4409752 0.93 IDO1 (0.36) CREBBPUSP30JAK1JAK2JAK3
SCHEMBL1998581 0.81 OPRK1 (0.34) ATMUSP30P2RX7PARP1GPR119
SCHEMBL4409907 0.78
SCHEMBL1997743 0.76 CREBBP (0.43) CREBBPUSP30JAK1JAK2JAK3
SCHEMBL1994506 0.72 HTR6 (0.46)
SCHEMBL29501163 0.71 HCRTR2 (0.43) ATMUSP30GPR119SCD5
SCHEMBL17958021 0.71 HCRTR2 (0.43) ATMUSP30GPR119SCD5
SCHEMBL1996187 0.71 FABP4 (0.39) USP30EPHX2
Indole SCHEMBL4414195 0.71 C5AR1 (0.43) CREBBPUSP30JAK1JAK2JAK3
SCHEMBL2005904 0.70 PKLR (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960374-B2 e.g. 2,5-methylene-9-(phenylsulfonyl)-1,2,3,4,5,9-hexahydro[1,5]oxazocino[3,2-e]indole; serotonin receptors antagonist or partial agonist; metabolic diseases, e.g. obesity, insulin resisitance, type 2 diabetes, eating disorders; antidepressant, anxiolytic agent; cosmetics PROXIMAGEN LIMITED (GB) 2011-06-14 US disclosed
EP-2091953-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4]OXAZEPINO [6, 7-E]INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (publ) (SE) 2009-08-26 EP disclosed
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 US disclosed
WO-2008054288-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (PUBL) (SE) 2008-05-08 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-20080176829-A1 Compounds HTR6, HTR1B, HTR1A CREBBP 2723/4885ATM 4008/4885USP30 3930/4885

“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.