SCHEMBL3768876

SCHEMBL3768876

O=C(CN1CCN(c2ccccc2F)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
TSHR P16473 3/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 2/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
PARP1 P09874 1/20 0.50

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
SCHEMBL13004958 0.98 KMT2A (0.56) KMT2AMEN1TSHRLMNAMAPT
SCHEMBL3770906 0.97 ALDH1A1 (0.57) KMT2AMEN1TSHRLMNAMAPT
SCHEMBL3767597 0.87 HTR7 (0.52) KMT2AMEN1TSHRLMNAMAPT
SCHEMBL3767997 0.86 TSHR (0.53) KMT2AMEN1TSHRMAPTALDH1A1
SCHEMBL13004961 0.85 MEN1 (0.54) KMT2AMEN1TSHRLMNAMAPT
SCHEMBL3774214 0.84 TSHR (0.56) KMT2AMEN1TSHRMAPTALDH1A1
SCHEMBL3769112 0.84 MEN1 (0.55) KMT2AMEN1TSHRLMNAMAPT
SCHEMBL3773954 0.84 MEN1 (0.62) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL3770228 0.84 KDM4E (0.55) MAPTALDH1A1KDM4EPARP1
SCHEMBL3773704 0.83 GRM5 (0.48) KMT2AMEN1TSHRALDH1A1HSD17B10

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 KMT2A 242/4885MEN1 3270/4885TSHR 436/4885

“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.