SCHEMBL3774344

SCHEMBL3774344

CC(C)N1C(=O)C2(CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.44
OPRL1 P41146 15/20 0.43
OPRM1 P35372 7/20 0.43
OPRK1 P41145 4/20 0.43
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL3762803 0.87 OPRL1 (0.57) EGLN1OPRL1OPRM1OPRK1PARP1
SCHEMBL13005817 0.82 OPRL1 (0.60) EGLN1OPRL1OPRM1OPRK1KDM4E
SCHEMBL3773817 0.81 EGLN1 (0.54) EGLN1OPRL1OPRM1OPRK1
SCHEMBL3769763 0.80 EGLN1 (0.48) EGLN1OPRL1OPRM1OPRK1PARP1
SCHEMBL3763129 0.78 OPRM1 (0.55) OPRL1OPRM1OPRK1PARP1KDM4E
SCHEMBL13005666 0.78 KDM4E (0.42) PARP1KDM4EALDH1A1
SCHEMBL3772162 0.78 HRH3 (0.46) EGLN1OPRL1OPRM1OPRK1
SCHEMBL3771973 0.77 ALDH1A1 (0.46) OPRL1OPRM1OPRK1PARP1KDM4E
SCHEMBL4725264 0.76 OPRL1 (0.49) OPRL1OPRM1OPRK1KDM4EALDH1A1
SCHEMBL3769340 0.75 KDM4E (0.49) OPRL1OPRM1OPRK1PARP1KDM4E

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 EGLN1 306/4885OPRL1 347/4885OPRM1 743/4885

“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.