SCHEMBL3768880

SCHEMBL3768880

O=C(CN1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
TSHR P16473 3/20 0.54
KDM4E B2RXH2 6/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL3 Q96JM7 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MBTD1 Q05BQ5 1/20 0.48
TP53BP1 Q12888 1/20 0.45
HRH3 Q9Y5N1 3/20 0.45
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
PARP1 P09874 1/20 0.44

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
SCHEMBL3762914 0.92 L3MBTL3 (0.55) ALDH1A1KDM4EPOLBSMN1; SMN2L3MBTL3
SCHEMBL3762901 0.82 TSHR (0.55) ALDH1A1TSHRKDM4EPOLBLMNA
SCHEMBL3773907 0.81 KDM2B (0.53) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL3770797 0.81 L3MBTL3 (0.50) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL3767212 0.81 HTT (0.56) ALDH1A1KDM4EPOLBL3MBTL3L3MBTL1
SCHEMBL3773954 0.81 MEN1 (0.62) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL3770368 0.81 KDM4E (0.67) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL3770129 0.81 ALDH1A1 (0.80) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL3780472 0.80 ALDH1A1 (0.59) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL13004967 0.79 KDM4E (0.62) ALDH1A1KDM4EHRH3

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 ALDH1A1 1210/4885TSHR 436/4885KDM4E 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.