Sugi Predict

Sugi Predict / Compounds / SCHEMBL3773709

SCHEMBL3773709

SCHEMBL3773709

O=C(CN1CCN(c2cc(Cl)cc(Cl)c2)CC1)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HRH3 Q9Y5N1 6/20 0.50
▸ ALDH1A1 P00352 7/20 0.49
▸ MAPT P10636 3/20 0.49
▸ ADAMTS5 Q9UNA0 2/20 0.46
▸ ADAM10 O14672 1/20 0.46
▸ ADAMTS4 O75173 1/20 0.46
▸ MMP12 P39900 1/20 0.46
▸ ADAM17 P78536 1/20 0.46
▸ ADAM9 Q13443 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ LMNA P02545 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
SCHEMBL3766138 0.99 SMN1; SMN2 (0.55) GFERSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL3779438 0.89 SMN1; SMN2 (0.70) GFERSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL3773736 0.89 MEN1 (0.72) GFERSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL3773552 0.88 GFER (0.72) GFERSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL13004971 0.87 MEN1 (0.74) GFERSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL3774703 0.87 GFER (0.57) GFERSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL3774022 0.86 SMN1; SMN2 (0.53) GFERSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL3767730 0.85 GFER (0.72) GFERSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL3771719 0.85 MEN1 (0.74) GFERSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL3761217 0.85 SMN1; SMN2 (0.54) GFERSMN1; SMN2MEN1TSHRKMT2A

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 4282/4885MEN1 3270/4885

“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.