SCHEMBL3774792

SCHEMBL3774792

CCOc1cccc(C(=O)NC2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
LMNA P02545 3/20 0.53
USP2 O75604 2/20 0.53
KMT2A Q03164 3/20 0.52
MCHR1 Q99705 3/20 0.49
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
CCR3 P51677 1/20 0.45

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
SCHEMBL3765339 0.95 HPGD (0.56) HPGDRAB9ASMN1; SMN2LMNAUSP2
SCHEMBL3780450 0.89 KMT2A (0.64) KMT2AALDH1A1TP53CYP2D6CYP2C19
SCHEMBL3762907 0.85 MCHR1 (0.58) RAB9ALMNAUSP2KMT2AMCHR1
SCHEMBL3770062 0.83 ALDH1A1 (0.57) KMT2AALDH1A1TP53MEN1
SCHEMBL3762894 0.83 KMT2A (0.57) HPGDLMNAKMT2AMCHR1ALDH1A1
SCHEMBL3780573 0.83 PKM (0.54) RAB9AKMT2AMCHR1ALDH1A1POLB
SCHEMBL3803764 0.82 DRD4 (0.60) KMT2A
SCHEMBL3768221 0.82 KMT2A (0.56) RAB9ALMNAUSP2KMT2AALDH1A1
SCHEMBL3761262 0.81 KMT2A (0.61) RAB9ALMNAKMT2AALDH1A1
SCHEMBL13006775 0.81 KMT2A (0.79) KMT2AALDH1A1TSHRTP53MEN1

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 HPGD 377/4885RAB9A 3824/4885SMN1; SMN2 4282/4885

“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.