SCHEMBL4693977

SCHEMBL4693977

CCOC(=O)N1CCC(=C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
SETD7 Q8WTS6 1/20 0.54
MAPT P10636 1/20 0.54
GAA P10253 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
OPRD1 P41143 2/20 0.52
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 2/20 0.50
OPRK1 P41145 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP2C19 P33261 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM3 P20309 1/20 0.50
KMT2A Q03164 1/20 0.50

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
Carbamic Acid SCHEMBL4082824 0.96 TSHR (0.53) TSHRSETD7MAPTGAAL3MBTL1
SCHEMBL5492164 0.93 TSHR (0.51) TSHRSETD7MAPTGAAL3MBTL1
SCHEMBL9047536 0.84 ALDH1A1 (0.58) MAPTGAAOPRD1ALDH1A1KDM4E
SCHEMBL5493044 0.82 OPRM1 (0.55) TSHRGAAL3MBTL1OPRD1ALDH1A1
SCHEMBL14282904 0.81 OPRD1 (0.50) TSHRSETD7L3MBTL1OPRD1FNTA
SCHEMBL9632474 0.81 ALDH1A1 (0.49) TSHRMAPTGAAL3MBTL1ALDH1A1
SCHEMBL24621774 0.81 KDM4E (0.53) SETD7OPRD1FNTAFNTBKDM4E
SCHEMBL11319497 0.80 CYP2C19 (0.55) TSHRMAPTGAAALDH1A1KDM4E
SCHEMBL10601711 0.80 OPRM1 (0.60) TSHRMAPTGAAL3MBTL1OPRD1
SCHEMBL4563119 0.79 OPRD1 (0.54) SETD7OPRD1ALDH1A1OPRK1CHRM5

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-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
EP-1443929-A4 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION INC (US) 2008-02-06 EP disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed
WO-2005103041-A9 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION INC (US) 2005-12-22 WO disclosed
US-20050080265-A1 Treatment of CNS disorders using CNS target modulators HYPNION, INC. 2005-04-14 US disclosed
US-20050009730-A1 Treatment of cns disorders using cns target modulators HYPNION, INC. 2005-01-13 US disclosed
WO-2003032912-A9 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION INC (US) 2005-01-06 WO disclosed
EP-1443929-A2 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS Hypnion, Inc. (US) 2004-08-11 EP disclosed
US-20040142972-A1 CNS target modulators HYPNION, INC. 2004-07-22 US disclosed
US-20030187021-A1 Treatment of CNS disorders using CNS target modulators HYPNION, INC. 2003-10-02 US disclosed
WO-2003032912-A2 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION, INC. (US) 2003-04-24 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 (4 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-20050009730-A1 Treatment of cns disorders using cns target modulators HCRTR2, CNR2, CNR1 TSHR 1566/4885SETD7 1332/4885MAPT 336/4885
US-20030187021-A1 Treatment of CNS disorders using CNS target modulators HCRTR2, CNR2, CNR1 TSHR 1566/4885SETD7 1332/4885MAPT 336/4885
US-20050080265-A1 Treatment of CNS disorders using CNS target modulators HCRTR2, HRH3, HCRTR1 TSHR 1299/4885SETD7 838/4885MAPT 297/4885
US-20040142972-A1 CNS target modulators HCRTR2, CNR2, CNR1 TSHR 1359/4885SETD7 1434/4885MAPT 562/4885

“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.