SCHEMBL3767918

SCHEMBL3767918

O=C(CN1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GFER P55789 1/20 0.47
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
ACACB O00763 1/20 0.41
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
PANK3 Q9H999 1/20 0.40
TACR1 P25103 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL3770099 0.91 HRH3 (0.42) HRH3SMN1; SMN2GFERMAPTMEN1
SCHEMBL3767453 0.90 HRH3 (0.45) HRH3MAPTKDM2BMEN1TSHR
SCHEMBL3767633 0.90 HRH3 (0.46) HRH3SMN1; SMN2MAPTTSHRKMT2A
SCHEMBL3773927 0.90 ALDH1A1 (0.47) HRH3SMN1; SMN2MAPTMEN1TSHR
SCHEMBL3767885 0.90 HRH3 (0.43) HRH3SMN1; SMN2GFERMAPTKDM2B
SCHEMBL3771694 0.90 PANK3 (0.48) HRH3KDM2BPANK3
SCHEMBL3767586 0.89 MAPK1 (0.43) HRH3SMN1; SMN2MAPTKDM2BMEN1
SCHEMBL3761224 0.89 PANK3 (0.42) HRH3SMN1; SMN2GFERMAPTMEN1
SCHEMBL3774634 0.89 KMT2A (0.49) HRH3SMN1; SMN2GFERKDM2BMEN1
SCHEMBL3767452 0.89 LMNA (0.45) HRH3MEN1TSHRKMT2APANK3

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 HRH3 2/4885SMN1; SMN2 4282/4885GFER 3130/4885

“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.