SCHEMBL3763010

SCHEMBL3763010

CCC(C)N1CCN(C(=O)CN2CCN(c3ccccc3F)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
MAPT P10636 3/20 0.55
TSHR P16473 2/20 0.55
LMNA P02545 2/20 0.55
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 1/20 0.49
CASP1 P29466 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL3777264 0.90 KMT2A (0.59) KMT2AMEN1MAPTTSHRLMNA
SCHEMBL3773450 0.87 KDM4E (0.52) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL3776234 0.87 KDM4E (0.52) MAPTLMNAKDM4EALDH1A1TDP1
SCHEMBL3768133 0.87 DPP4 (0.49) KMT2AMEN1MAPTTSHRLMNA
SCHEMBL3773744 0.84 MAPT (0.60) KMT2AMEN1MAPTTSHRLMNA
SCHEMBL3768253 0.83 MAPT (0.72) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL3773870 0.82 DRD2 (0.58) KDM4E
SCHEMBL3768041 0.81 LMNA (0.54) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL3773921 0.80 MAPT (0.53) KMT2AMEN1MAPTTSHRLMNA
SCHEMBL3777268 0.79 ALDH1A1 (0.52) KMT2AMEN1MAPTTSHRLMNA

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 3270/4885MAPT 1475/4885

“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.