SCHEMBL3765623

SCHEMBL3765623

O=C(C=Cc1ccc(F)cc1)N1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
GPR183 P32249 12/20 0.49
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
APP P05067 1/20 0.45
ATM Q13315 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
SCHEMBL3765617 1.00 ALDH1A1 (0.58) ALDH1A1LMNATP53GPR183KMT2A
SCHEMBL3765334 0.90 ALDH1A1 (0.47) ALDH1A1LMNATP53GPR183KMT2A
SCHEMBL3765327 0.90 ALDH1A1 (0.47) ALDH1A1LMNATP53GPR183KMT2A
SCHEMBL3767721 0.89 MEN1 (0.56) GPR183KMT2AHRH3
SCHEMBL3767727 0.89 MEN1 (0.56) GPR183KMT2AHRH3
SCHEMBL3773864 0.89 MEN1 (0.56) ALDH1A1LMNAGPR183KMT2A
SCHEMBL3773866 0.89 MEN1 (0.56) ALDH1A1LMNAGPR183KMT2A
SCHEMBL3762991 0.89 GPR183 (0.50) ALDH1A1LMNATP53GPR183KMT2A
SCHEMBL3762986 0.89 GPR183 (0.50) ALDH1A1LMNATP53GPR183KMT2A
SCHEMBL3761251 0.87 KDM4E (0.50) ALDH1A1LMNAGPR183KMT2AHRH3

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 6 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

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 ALDH1A1 1210/4885LMNA 2902/4885TP53 3661/4885

“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.