SCHEMBL3773773

SCHEMBL3773773

NC(=O)C1[CH]CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
LMNA P02545 3/20 0.62
ABL1 P00519 1/20 0.62
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 1/20 0.46
HSD11B1 P28845 4/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.43
HSD11B2 P80365 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL13015906 0.79 KDM4E (0.64) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL30540328 0.76 LMNA (1.00) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL29200952 0.73 KDM4E (0.60) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL31381191 0.73 KDM4E (0.76) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL2854859 0.73 NOTUM (0.47) LMNAMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL31751902 0.72 KDM4E (0.52) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL20458193 0.71 CNR2 (0.62) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL30286305 0.71 KDM4E (0.71) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL9105593 0.70 CNR2 (0.59) KDM4ELMNAABL1MAPTSMN1; SMN2
SCHEMBL9107543 0.70 CNR2 (0.59) KDM4ELMNAABL1MAPTSMN1; SMN2

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 2 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-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 534/4885LMNA 2902/4885ABL1 3399/4885

“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.