SCHEMBL1010876

SCHEMBL1010876

NCCCC1(c2ccccc2)OCCO1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIA1 P42261 2/20 0.37
GRIA2 P42262 2/20 0.37
GRIA3 P42263 2/20 0.37
GRIA4 P48058 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
DPP4 P27487 1/20 0.36
HTR2A P28223 1/20 0.34

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
SCHEMBL12667546 0.89 L3MBTL1 (0.45) TSHRMAPK1SMN1; SMN2L3MBTL1MAOB
SCHEMBL27430431 0.85 TSHR (0.43) TSHRMAPK1SMN1; SMN2L3MBTL1MAOB
SCHEMBL11233227 0.82 SLC6A3 (0.39) MAOBMAOATAAR1
SCHEMBL1594432 0.81 L3MBTL1 (0.43) TSHRMAPK1SMN1; SMN2L3MBTL1MAOB
SCHEMBL6157445 0.81 L3MBTL1 (0.43) TSHRMAPK1SMN1; SMN2L3MBTL1MAOB
SCHEMBL14778726 0.81 OPRM1 (0.45) TSHRMAPK1SMN1; SMN2L3MBTL1
SCHEMBL6158800 0.81 TSHR (0.43) TSHRMAPK1SMN1; SMN2L3MBTL1
SCHEMBL4783521 0.81 L3MBTL1 (0.43) TSHRMAPK1SMN1; SMN2L3MBTL1MAOB
SCHEMBL3938775 0.80 CYP2A6 (0.42) HRH1
SCHEMBL2066637 0.80 MAOB (0.48) TSHRMAPK1SMN1; SMN2L3MBTL1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924578-B1 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2013-11-06 EP disclosed
US-7981882-B2 e.g. 7-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethanesulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine; antidepressant, anxiolytic agent; obesity, obsessive/compulsive disorder ELI LILLY AND COMPANY (US) 2011-07-19 US disclosed
EP-1661890-B1 PPAR-ACTIVATING COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KOWA CO (JP) 2011-01-05 EP disclosed
CN-100425594-C PPAR activating compound and pharmaceutical composition containing the same KOWA CO (JP) 2008-10-15 CN disclosed
US-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-09-04 US disclosed
EP-1924578-A2 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2008-05-28 EP disclosed
WO-2007028132-A2 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed
US-7183295-B2 PPAR-activating compound and pharmaceutical composition comprising the compound KOWA CO., LTD. (JP) 2007-02-27 US disclosed
US-7183295-B2 PPAR-activating compound and pharmaceutical composition comprising the compound KOWA CO., LTD. (JP) 2007-02-27 US disclosed
US-7183295-B2 PPAR-activating compound and pharmaceutical composition comprising the compound KOWA CO., LTD. (JP) 2007-02-27 US disclosed
CN-1845905-A PPAR-activating compound and pharmaceutical composition comprising the compound KOWA CO (JP) 2006-10-11 CN disclosed
US-20060189667-A1 PPAR-activating compound and pharmaceutical composition comprising the compound KOWA CO., LTD. (JP) 2006-08-24 US disclosed
EP-1661890-A1 PPAR-ACTIVATING COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Kowa Co., Ltd. (JP) 2006-05-31 EP 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-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR3B, HTR1A TSHR 172/4885MAPK1 2897/4885SMN1; SMN2 3259/4885
US-20060189667-A1 PPAR-activating compound and pharmaceutical composition comprising the compound PPARA, PPARG, PPARD TSHR 187/4885MAPK1 1944/4885SMN1; SMN2 4340/4885

“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.