SCHEMBL3767580

SCHEMBL3767580

N#Cc1ccc(-c2cccc(N3CCN(CC(=O)N4CCN(C5CCC5)CC4)CC3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.45
HRH3 Q9Y5N1 2/20 0.45
KDM2B Q8NHM5 2/20 0.45
MGLL Q99685 3/20 0.44
LMNA P02545 1/20 0.44
ADAMTS5 Q9UNA0 2/20 0.42
ACHE P22303 1/20 0.42
ELANE P08246 1/20 0.42
SCN7A Q01118 1/20 0.41
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL13006653 0.91 KDM2B (0.51) ALDH1A1MAPTHRH3KDM2BMGLL
SCHEMBL13006658 0.90 HRH3 (0.49) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL3760962 0.89 ALDH1A1 (0.60) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL3773843 0.87 MEN1 (0.51) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL3770805 0.87 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL3779268 0.86 MEN1 (0.49) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL3771203 0.85 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL3779347 0.84 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL3762866 0.82 ALDH1A1 (0.64) MEN1KMT2AALDH1A1MAPTHRH3
SCHEMBL3768207 0.82 MAPT (0.49) MEN1KMT2ATSHRALDH1A1MAPT

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 MEN1 3270/4885KMT2A 242/4885TSHR 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.