SCHEMBL3773249

SCHEMBL3773249

COc1cccc(-c2ccc(N3CCN(CC(=O)N4CCN(C5CCC5)CC4)CC3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.51
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 4/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
ACHE P22303 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL3773820 0.91 ACHE (0.47) KDM2BLMNAGAATSHRMAPK1
SCHEMBL3762984 0.91 ALDH1A1 (0.45) KDM2BLMNAGAATSHRMAPK1
SCHEMBL3765124 0.90 TSHR (0.59) KDM2BLMNATSHRALDH1A1MAPT
SCHEMBL3774521 0.90 GAA (0.57) LMNAGAATSHRMAPK1ALDH1A1
SCHEMBL3773498 0.88 TSHR (0.56) LMNATSHRALDH1A1MAPTL3MBTL1
SCHEMBL3767958 0.88 SLC6A7 (0.47) LMNAGAATSHRMAPK1ALDH1A1
SCHEMBL3768207 0.87 MAPT (0.49) KDM2BLMNATSHRMAPK1ALDH1A1
SCHEMBL3777440 0.87 TSHR (0.55) LMNATSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL3763175 0.87 GAA (0.60) LMNAGAATSHRMAPK1ALDH1A1
SCHEMBL3773763 0.87 HSD17B10 (0.53) LMNAGAATSHRMAPK1ALDH1A1

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 KDM2B 772/4885LMNA 2902/4885GAA 2143/4885

“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.