SCHEMBL4693876

SCHEMBL4693876

CC(C)COC(=O)CCN1CCC(=C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.48
OPRK1 P41145 5/20 0.48
OPRM1 P35372 4/20 0.48
SETD7 Q8WTS6 1/20 0.48
HTR7 P34969 1/20 0.43
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
P2RX7 Q99572 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4563119 0.86 OPRD1 (0.54) OPRD1OPRK1OPRM1SETD7HTR7
SCHEMBL4081229 0.85 OPRD1 (0.50) OPRD1OPRK1OPRM1SETD7HTR7
SCHEMBL14198374 0.79 SETD7 (0.58) OPRD1OPRK1OPRM1SETD7HTR7
SCHEMBL14198340 0.79 SETD7 (0.57) OPRD1OPRK1OPRM1SETD7HTR7
SCHEMBL4697602 0.76 ALDH1A1 (0.46) OPRD1OPRK1OPRM1SETD7HTR7
SCHEMBL4072745 0.76 PRCP (0.49) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL10747307 0.74 SETD7 (0.56) OPRD1OPRK1OPRM1SETD7HTR7
SCHEMBL19450980 0.74 TMEM97 (0.55) CHRM5CHRM1KMT2A
SCHEMBL16481505 0.74 OPRD1 (0.54) OPRD1OPRK1OPRM1HTR7ALDH1A1
SCHEMBL14282966 0.73 OPRD1 (0.60) OPRD1OPRK1OPRM1SETD7HTR7

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
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
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 OPRD1 645/4885OPRK1 380/4885OPRM1 535/4885
US-20030187021-A1 Treatment of CNS disorders using CNS target modulators HCRTR2, CNR2, CNR1 OPRD1 645/4885OPRK1 380/4885OPRM1 535/4885
US-20050080265-A1 Treatment of CNS disorders using CNS target modulators HCRTR2, HRH3, HCRTR1 OPRD1 554/4885OPRK1 274/4885OPRM1 382/4885
US-20040142972-A1 CNS target modulators HCRTR2, CNR2, CNR1 OPRD1 399/4885OPRK1 234/4885OPRM1 275/4885

“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.