SCHEMBL3774347

SCHEMBL3774347

CC(C)(C)c1ccc(C(=O)NC2CCN(CC(=O)N3CCN(C4CCC4)CC3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 5/20 0.55
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
TSHR P16473 1/20 0.49
HRH3 Q9Y5N1 4/20 0.46
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
SSTR5 P35346 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42

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
SCHEMBL3774288 0.90 KMT2A (0.53) KMT2AMEN1TSHRHRH3DRD2
SCHEMBL3774004 0.88 DRD2 (0.51) KMT2AMEN1HRH3DRD2DRD4
SCHEMBL3769105 0.87 KMT2A (0.51) SLC6A5KMT2AMEN1HRH3L3MBTL3
SCHEMBL3776073 0.87 KMT2A (0.70) SLC6A5KMT2AMEN1TSHRHRH3
SCHEMBL3767807 0.87 DRD2 (0.56) SLC6A5KMT2AMEN1HRH3L3MBTL3
SCHEMBL3771229 0.86 KMT2A (0.50) SLC6A5KMT2ATSHRHRH3DRD2
SCHEMBL3773750 0.86 DRD2 (0.61) KMT2AMEN1DRD2DRD4
SCHEMBL3770062 0.85 ALDH1A1 (0.57) SLC6A5KMT2AMEN1HRH3
SCHEMBL3768050 0.85 KMT2A (0.49) SLC6A5KMT2AHRH3L3MBTL3L3MBTL1
SCHEMBL3779258 0.85 KMT2A (0.51) KMT2AMEN1HRH3DRD2DRD4

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 SLC6A5 2867/4885KMT2A 242/4885MEN1 3270/4885

“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.