SCHEMBL3765826

SCHEMBL3765826

CCC(C)N1CCN(C(=O)CN2CCN(c3ccc(OC)c(OC)c3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.53
GFER P55789 1/20 0.50
HIF1A Q16665 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 1/20 0.49
HRH3 Q9Y5N1 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
CCR1 P32246 3/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL3771993 0.91 LMNA (0.54) LMNAGAAGFERALDH1A1MAPT
SCHEMBL3772008 0.91 CCR1 (0.59) CYP2C19CCR1
SCHEMBL3767834 0.91 LMNA (0.50) LMNAGAAALDH1A1MAPTKDM4E
SCHEMBL3765873 0.88 GFER (0.55) LMNAGAAGFERALDH1A1MAPT
SCHEMBL3773446 0.87 GAA (0.69) LMNAGAAGFERALDH1A1MAPT
SCHEMBL3767437 0.86 GFER (0.59) LMNAGAAGFERALDH1A1MAPT
SCHEMBL3777260 0.84 NPSR1 (0.49) LMNAGAAGFERALDH1A1MAPT
SCHEMBL3765245 0.83 RAB9A (0.55) LMNAGAAGFERALDH1A1MAPT
SCHEMBL3768910 0.83 MAPT (0.56) LMNAGAAGFERALDH1A1MAPT
SCHEMBL14608867 0.83 GAA (0.53) LMNAGAAALDH1A1MAPTPOLB

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 LMNA 2902/4885GAA 2143/4885GFER 3130/4885

“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.