SCHEMBL4697602

SCHEMBL4697602

O=C(CCN1CCC(=C(c2ccccc2)c2ccccc2)CC1)OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
OPRD1 P41143 4/20 0.46
OPRM1 P35372 3/20 0.46
OPRK1 P41145 3/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
P2RX7 Q99572 1/20 0.45
SETD7 Q8WTS6 1/20 0.44
KMT2A Q03164 3/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
HTR7 P34969 1/20 0.43
GFER P55789 1/20 0.43
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL14282936 0.90 ALDH1A1 (0.48) ALDH1A1OPRD1OPRM1OPRK1LMNA
SCHEMBL14282935 0.85 ALDH1A1 (0.43) ALDH1A1OPRD1OPRM1OPRK1DRD2
SCHEMBL14198340 0.79 SETD7 (0.57) ALDH1A1OPRD1OPRM1OPRK1P2RX7
SCHEMBL4563119 0.79 OPRD1 (0.54) ALDH1A1OPRD1OPRM1OPRK1HTR2A
SCHEMBL4081229 0.78 OPRD1 (0.50) ALDH1A1OPRD1OPRM1OPRK1P2RX7
SCHEMBL14282934 0.77 DRD2 (0.47) ALDH1A1OPRD1OPRM1OPRK1LMNA
SCHEMBL14198374 0.76 SETD7 (0.58) ALDH1A1OPRD1OPRM1OPRK1P2RX7
SCHEMBL4693876 0.76 OPRD1 (0.48) ALDH1A1OPRD1OPRM1OPRK1LMNA
SCHEMBL65060 0.74 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAHPGDTSHR
SCHEMBL12014429 0.74 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAHPGDTSHR

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 12 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-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 ALDH1A1 1623/4885OPRD1 645/4885OPRM1 535/4885
US-20030187021-A1 Treatment of CNS disorders using CNS target modulators HCRTR2, CNR2, CNR1 ALDH1A1 1623/4885OPRD1 645/4885OPRM1 535/4885
US-20050080265-A1 Treatment of CNS disorders using CNS target modulators HCRTR2, HRH3, HCRTR1 ALDH1A1 2710/4885OPRD1 554/4885OPRM1 382/4885
US-20040142972-A1 CNS target modulators HCRTR2, CNR2, CNR1 ALDH1A1 1316/4885OPRD1 399/4885OPRM1 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.