SCHEMBL3776150

SCHEMBL3776150

CCN1CCN(C(=O)CN2CCN(c3ccc(OC)cc3)CC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.67
GAA P10253 2/20 0.67
MAPT P10636 6/20 0.59
ALDH1A1 P00352 5/20 0.59
TSHR P16473 1/20 0.59
HSD17B10 Q99714 1/20 0.59
GFER P55789 3/20 0.58
MAPK1 P28482 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
KDM4E B2RXH2 1/20 0.58
RAB9A P51151 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
DRD2 P14416 1/20 0.56
REV1 Q9UBZ9 1/20 0.56

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
SCHEMBL3773446 0.86 GAA (0.69) LMNAGAAMAPTALDH1A1TSHR
SCHEMBL8353109 0.84 DRD2 (0.75) LMNAGAAMAPTALDH1A1TSHR
SCHEMBL3769471 0.84 SMN1; SMN2 (0.77) MAPTALDH1A1TSHRGFERMEN1
SCHEMBL3765873 0.84 GFER (0.55) LMNAGAAMAPTALDH1A1HSD17B10
SCHEMBL12182367 0.83 L3MBTL1 (0.68) LMNAGAAMAPTALDH1A1TSHR
SCHEMBL3763175 0.83 GAA (0.60) LMNAGAAMAPTALDH1A1TSHR
SCHEMBL3762993 0.83 ALDH1A1 (0.60) LMNAGAAMAPTALDH1A1TSHR
SCHEMBL3774818 0.82 ALDH1A1 (0.62) LMNAGAAMAPTALDH1A1TSHR
SCHEMBL3771135 0.81 CCR1 (0.51) LMNAGAAMAPTALDH1A1TSHR
SCHEMBL3774021 0.81 ALDH1A1 (0.49) LMNAGAAMAPTALDH1A1TSHR

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 2143/4885MAPT 1475/4885

“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.