SCHEMBL3768207

SCHEMBL3768207

Cc1cccc(-c2ccc(N3CCN(CC(=O)N4CCN(C5CCC5)CC4)CC3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM2B Q8NHM5 2/20 0.48
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TSHR P16473 1/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.46
HRH3 Q9Y5N1 1/20 0.45
MAPK1 P28482 2/20 0.44
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2C9 P11712 1/20 0.43
DRD4 P21917 1/20 0.43
CYP2D6 P10635 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
SCHEMBL3773737 0.91 MAPT (0.49) MAPTALDH1A1NPSR1HTTMEN1
SCHEMBL3770022 0.90 LMNA (0.55) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL3771355 0.89 MEN1 (0.56) MAPTALDH1A1KDM2BNPSR1HTT
SCHEMBL3762866 0.88 ALDH1A1 (0.64) MAPTALDH1A1NPSR1HTTMEN1
SCHEMBL3767567 0.88 ALDH1A1 (0.47) MAPTALDH1A1NPSR1HTTMEN1
SCHEMBL3765964 0.88 ALDH1A1 (0.47) MAPTALDH1A1NPSR1HTTMEN1
SCHEMBL3777299 0.88 MAPK1 (0.55) MAPTALDH1A1KDM2BHTTMEN1
SCHEMBL3771074 0.88 KMT2A (0.59) MAPTALDH1A1KDM2BMEN1KMT2A
SCHEMBL3769109 0.88 MAPT (0.48) MAPTALDH1A1NPSR1HTTMEN1
SCHEMBL13006651 0.87 MAPT (0.46) MAPTALDH1A1NPSR1HTTMEN1

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 MAPT 1475/4885ALDH1A1 1210/4885KDM2B 772/4885

“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.