SCHEMBL3774703

SCHEMBL3774703

O=C(CN1CCN(c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
HRH3 Q9Y5N1 7/20 0.47
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 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
SCHEMBL3774550 0.92 GFER (0.67) GFERSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL3771074 0.91 KMT2A (0.59) GFERSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL3767730 0.89 GFER (0.72) GFERSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL3779255 0.88 GFER (0.53) GFERSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL3773880 0.88 GFER (0.53) GFERSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL3766138 0.88 SMN1; SMN2 (0.55) GFERSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL3772009 0.87 MAPT (0.49) GFERSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL3773737 0.87 MAPT (0.49) GFERSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL3762866 0.87 ALDH1A1 (0.64) GFERSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL3773709 0.87 GFER (0.54) GFERSMN1; SMN2KMT2AMEN1TSHR

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 GFER 3130/4885SMN1; SMN2 4282/4885KMT2A 242/4885

“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.