SCHEMBL3767698

SCHEMBL3767698

CCC(CC)CNC(=O)c1cccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TLR2 O60603 2/20 0.42
PRMT5 O14744 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK8 P45983 2/20 0.40
MAPK10 P53779 2/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL3776113 0.92 KMT2A (0.45) KMT2AMEN1TSHRMAPTALDH1A1
SCHEMBL3769579 0.91 KDM4E (0.47) KMT2AMEN1TSHRMAPTALDH1A1
SCHEMBL3770443 0.89 HRH3 (0.46) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL3773979 0.88 KMT2A (0.47) KMT2AMEN1TSHRMAPTALDH1A1
SCHEMBL3769111 0.87 MEN1 (0.46) KMT2AMEN1TSHRMAPTALDH1A1
SCHEMBL3774504 0.87 MEN1 (0.46) KMT2AMEN1TSHRMAPTALDH1A1
SCHEMBL3762935 0.86 KMT2A (0.47) KMT2AMEN1TSHRMAPTALDH1A1
SCHEMBL3771991 0.86 MEN1 (0.49) KMT2AMEN1TSHRMAPTALDH1A1
SCHEMBL3763239 0.86 MEN1 (0.48) KMT2AMEN1TSHRMAPTALDH1A1
SCHEMBL3771699 0.86 KDM4E (0.46) KMT2AMEN1TSHRMAPTALDH1A1

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 7 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
WO-2007016496-A2 DIPIPERAZINYL KETONES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-02-08 WO 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 242/4885MEN1 3270/4885TSHR 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.