SCHEMBL3763152

SCHEMBL3763152

O=C(Cc1ccccc1Cl)N1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CCR3 P51677 2/20 0.48
PARP1 P09874 1/20 0.48
HRH3 Q9Y5N1 2/20 0.46

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
SCHEMBL3768053 0.87 KMT2A (0.57) KDM4EALDH1A1KMT2AMEN1CCR3
SCHEMBL3773594 0.86 CCR3 (0.52) KDM4EALDH1A1MAPK1KMT2AMEN1
SCHEMBL3770228 0.86 KDM4E (0.55) KDM4EALDH1A1CCR3PARP1
SCHEMBL3767530 0.86 ALDH1A1 (0.55) KDM4EALDH1A1CCR3PARP1
SCHEMBL3772003 0.86 CCR3 (0.55) KDM4EALDH1A1KMT2AMEN1CCR3
SCHEMBL3767597 0.85 HTR7 (0.52) KDM4EALDH1A1MAPK1KMT2AMEN1
SCHEMBL3767658 0.84 MEN1 (0.47) KDM4EALDH1A1KMT2AMEN1CCR3
SCHEMBL3766253 0.84 KMT2A (0.55) KDM4EALDH1A1MAPK1KMT2AMEN1
SCHEMBL3773907 0.84 KDM2B (0.53) KDM4EALDH1A1KMT2AMEN1PARP1
SCHEMBL3799209 0.83 NPC1 (0.52) KDM4EALDH1A1KMT2AMEN1PARP1

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 KDM4E 534/4885ALDH1A1 1210/4885MAPK1 3915/4885

“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.