SCHEMBL3767764

SCHEMBL3767764

COc1cc(N2CCN(CC(=O)N3CCN(C(C)C)CC3)CC2)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
CCR1 P32246 12/20 0.48
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
ALK Q9UM73 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3767834 0.92 LMNA (0.50) LMNAGAACCR1PKMNPSR1
SCHEMBL3771993 0.90 LMNA (0.54) LMNAGAACCR1PKMNPSR1
SCHEMBL14608867 0.88 GAA (0.53) LMNAGAACCR1PKMNPSR1
SCHEMBL3771135 0.88 CCR1 (0.51) LMNAGAACCR1ALDH1A1MAPT
SCHEMBL3780578 0.87 CCR1 (0.61) CCR1
SCHEMBL3774359 0.82 CCR1 (0.46) LMNAGAACCR1ALDH1A1MAPT
SCHEMBL3768852 0.82 CCR1 (0.46) LMNAGAACCR1ALDH1A1MAPT
SCHEMBL3768057 0.82 MAPT (0.58) LMNAGAACCR1PKMNPSR1
SCHEMBL3765826 0.82 LMNA (0.53) LMNAGAACCR1PKMNPSR1
SCHEMBL3774351 0.81 GFER (0.62) LMNAGAACCR1PKMNPSR1

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 LMNA 2902/4885GAA 2143/4885CCR1 606/4885

“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.