Sugi Predict

Sugi Predict / Compounds / SCHEMBL3770094

SCHEMBL3770094

SCHEMBL3770094

O=C(NCC1CCCCC1)c1cccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.45
▸ LMNA P02545 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ L3MBTL3 Q96JM7 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PPARA Q07869 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK10 P53779 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
SCHEMBL3767253 0.96 MEN1 (0.48) MEN1KMT2APDGFRBKDRTSHR
SCHEMBL3779230 0.89 HRH3 (0.47) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3768117 0.87 NPC1 (0.49) MEN1KMT2AKDRTSHRALDH1A1
SCHEMBL3769326 0.87 NPC1 (0.49) MEN1KMT2AKDRTSHRALDH1A1
SCHEMBL3762935 0.86 KMT2A (0.47) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL3765876 0.86 MEN1 (0.47) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL3773979 0.86 KMT2A (0.47) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL3768275 0.86 KMT2A (0.49) MEN1KMT2AKDRTSHRALDH1A1
SCHEMBL3769157 0.85 KMT2A (0.47) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL3769579 0.85 KDM4E (0.47) MEN1KMT2ATSHRALDH1A1MAPT

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 MEN1 3270/4885KMT2A 242/4885PDGFRB 648/4885

“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.