SCHEMBL3777264

SCHEMBL3777264

CC(C)N1CCN(C(=O)CN2CCN(c3ccccc3F)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MAPT P10636 4/20 0.59
TSHR P16473 3/20 0.59
MEN1 O00255 3/20 0.59
LMNA P02545 2/20 0.59
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 4/20 0.55
TDP1 Q9NUW8 1/20 0.54
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
PKM P14618 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 1/20 0.52
CASP1 P29466 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
POLB P06746 1/20 0.51
ALOX15 P16050 1/20 0.50

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
SCHEMBL3763010 0.90 KMT2A (0.55) KMT2AMAPTTSHRMEN1LMNA
SCHEMBL3777254 0.86 DPP4 (0.52) KMT2AMAPTTSHRMEN1LMNA
SCHEMBL3761233 0.83 MAPT (0.64) KMT2AMAPTTSHRMEN1LMNA
SCHEMBL3762814 0.82 MAPT (0.78) KMT2AMAPTTSHRMEN1LMNA
SCHEMBL13898854 0.81 ALDH1A1 (0.56) KMT2AMAPTTSHRMEN1LMNA
SCHEMBL3768047 0.81 DRD2 (0.57)
SCHEMBL3771806 0.80 ALDH1A1 (0.58) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL3768876 0.79 KMT2A (0.56) KMT2AMAPTTSHRMEN1LMNA
SCHEMBL3762728 0.79 MAPT (0.56) KMT2AMAPTTSHRMEN1LMNA
SCHEMBL13004958 0.79 KMT2A (0.56) KMT2AMAPTTSHRMEN1LMNA

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 6 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

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 KMT2A 242/4885MAPT 1475/4885TSHR 436/4885

“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.