SCHEMBL3768057

SCHEMBL3768057

CC(C)N1CCN(C(=O)CN2CCN(c3ccc(Br)cc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
ALDH1A1 P00352 4/20 0.58
PKM P14618 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
GAA P10253 2/20 0.54
LMNA P02545 1/20 0.54
GFER P55789 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ESRRB O95718 2/20 0.49
ESRRG P62508 2/20 0.49
KCNH2 Q12809 1/20 0.48
POLB P06746 1/20 0.48
CCR1 P32246 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FPR2 P25090 1/20 0.47
AKR1C3 P42330 1/20 0.47
MMP2 P08253 1/20 0.46
MMP13 P45452 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
SCHEMBL3776078 0.88 MAPT (0.59) MAPTALDH1A1PKMNPSR1GAA
SCHEMBL3769115 0.87 SMN1; SMN2 (0.71) MAPTALDH1A1PKMNPSR1GAA
SCHEMBL3771806 0.87 ALDH1A1 (0.58) MAPTALDH1A1PKMNPSR1GAA
SCHEMBL26171578 0.87 PKM (0.60) MAPTALDH1A1PKMNPSR1GAA
SCHEMBL25122016 0.87 PKM (0.60) MAPTALDH1A1PKMNPSR1GAA
SCHEMBL3762814 0.87 MAPT (0.78) MAPTALDH1A1PKMNPSR1GAA
SCHEMBL3767673 0.86 ALDH1A1 (0.57) MAPTALDH1A1PKMNPSR1GAA
SCHEMBL23551688 0.85 ALDH1A1 (0.56) MAPTALDH1A1PKMNPSR1GAA
SCHEMBL3767294 0.84 ALDH1A1 (0.54) MAPTALDH1A1PKMNPSR1GAA
SCHEMBL3767801 0.84 ME2 (0.57) MAPTALDH1A1PKMNPSR1GAA

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 MAPT 1475/4885ALDH1A1 1210/4885PKM 219/4885

“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.