SCHEMBL3765339

SCHEMBL3765339

CCOc1cccc(C(=O)NC2CCN(CC(=O)N3CCN(C4CCC4)CC3)C2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MCHR1 Q99705 4/20 0.48
LMNA P02545 3/20 0.47
USP2 O75604 1/20 0.47
KMT2A Q03164 1/20 0.46
HTR7 P34969 3/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTDSP1 Q9GZU7 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
SCHEMBL3774792 0.95 HPGD (0.60) HPGDRAB9ASMN1; SMN2MCHR1LMNA
SCHEMBL3762907 0.91 MCHR1 (0.58) RAB9AMCHR1LMNAUSP2KMT2A
SCHEMBL3770062 0.89 ALDH1A1 (0.57) KMT2AALDH1A1SLC6A5TP53
SCHEMBL3780573 0.89 PKM (0.54) RAB9AMCHR1KMT2AHTR7ALDH1A1
SCHEMBL3762917 0.86 USP2 (0.52) RAB9ASMN1; SMN2LMNAUSP2KMT2A
SCHEMBL3774004 0.84 DRD2 (0.51) HPGDMCHR1KMT2AALDH1A1
SCHEMBL3780450 0.83 KMT2A (0.64) KMT2AALDH1A1SLC6A5TP53
SCHEMBL3767649 0.83 DRD4 (0.56) MCHR1
SCHEMBL3768127 0.82 KMT2A (0.54) RAB9ALMNAKMT2AALDH1A1SLC6A5
SCHEMBL3776073 0.82 KMT2A (0.70) MCHR1KMT2AALDH1A1TSHRSLC6A5

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.