SCHEMBL3766299

SCHEMBL3766299

O=C(CN1CCC(O)(c2ccc(Cl)cc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.54
OPRM1 P35372 1/20 0.53
OPRL1 P41146 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CCR1 P32246 5/20 0.47
SLC18A3 Q16572 1/20 0.47
DRD2 P14416 2/20 0.46
ADRA1A P35348 1/20 0.46
CCR3 P51677 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL3767778 0.89 LMNA (0.45) HRH3DRD2
SCHEMBL3770400 0.86 KMT2A (0.54) MEN1KMT2A
SCHEMBL3765913 0.84 ALDH1A1 (0.57) MEN1KMT2A
SCHEMBL13005270 0.81 ALDH1A1 (0.48) HRH3OPRM1OPRL1MEN1KMT2A
SCHEMBL3772438 0.81 NPSR1 (0.44) HRH3OPRM1OPRL1MEN1KMT2A
SCHEMBL3770031 0.80 KDM4E (0.61) HRH3MEN1KMT2ADRD2DRD4
SCHEMBL3774758 0.80 HRH3 (0.63) HRH3KMT2A
SCHEMBL3767730 0.80 GFER (0.72) HRH3MEN1KMT2A
SCHEMBL3777226 0.79 DRD4 (0.60) HRH3MEN1KMT2ADRD2DRD4
SCHEMBL3774342 0.78 NPSR1 (0.46) HRH3OPRM1OPRL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
WO-2007016496-A2 DIPIPERAZINYL KETONES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-02-08 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-20070049571-A1 Dipiperazinyl ketones and related analogues HRH4, HRH3, HRH1 HRH3 2/4885OPRM1 743/4885OPRL1 347/4885

“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.