SCHEMBL13005240

SCHEMBL13005240

O=C(CN1CCN(c2ncccc2F)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.49
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.43
PARP1 P09874 1/20 0.43
RBP4 P02753 1/20 0.41

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
SCHEMBL13005239 0.98 HRH3 (0.47) HRH3ALDH1A1KDM4ETDP1MAPT
SCHEMBL14608917 0.87 HRH3 (0.47) HRH3ALDH1A1KDM4ETDP1MAPT
SCHEMBL3771811 0.87 HRH3 (0.67) HRH3ALDH1A1MAPTMEN1KMT2A
SCHEMBL3776097 0.85 HRH3 (0.64) HRH3ALDH1A1KDM4EMAPTMEN1
SCHEMBL3768876 0.82 KMT2A (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL13004952 0.81 KDM4E (0.67) ALDH1A1KDM4ETDP1MAPTSMN1; SMN2
SCHEMBL13004958 0.80 KMT2A (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3770906 0.79 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL13004950 0.79 ALDH1A1 (0.63) HRH3ALDH1A1KDM4EMAPTKMT2A
SCHEMBL3766221 0.79 KDM4E (0.53) HRH3ALDH1A1KDM4EMAPTMEN1

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 HRH3 2/4885ALDH1A1 1210/4885KDM4E 534/4885

“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.