Sugi Predict

Sugi Predict / Compounds / SCHEMBL1483704

SCHEMBL1483704

SCHEMBL1483704

CN1CCC(=Cc2ccc(C#N)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.53
▸ HRH3 Q9Y5N1 3/20 0.44
▸ MIF P14174 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ KCNJ1 P48048 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CHEK1 O14757 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HRH4 Q9H3N8 3/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ IKBKB O14920 1/20 0.36

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
SCHEMBL14720801 0.83 HRH3 (0.47) RAB9AHRH3ALDH1A1KDM4EDRD2
SCHEMBL14720922 0.81 DRD3 (0.53) RAB9AHRH3DRD2DRD3KCNJ1
SCHEMBL21850712 0.78 CYP1A2 (0.43) RAB9AHRH3MIFKDM4EDRD2
SCHEMBL14720404 0.78 ALDH1A1 (0.46) MIFALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL14614560 0.77 HSD11B1 (0.44) RAB9AHRH3ALDH1A1HTR6LMNA
SCHEMBL10261332 0.77 HRH4 (0.50) HRH3ALDH1A1KDM4EDRD3KCNH2
SCHEMBL5598898 0.76 MAOA (0.47) HRH3ALDH1A1DRD2DRD3MAOA
SCHEMBL21343950 0.75 ACHE (0.43) RAB9AHRH3MIFALDH1A1HTR2A
SCHEMBL376663 0.75 KDM4E (0.67) ALDH1A1KDM4EDRD2DRD3LMNA
SCHEMBL16447577 0.75 MIF (0.38) RAB9AHRH3MIFALDH1A1KDM4E

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-8242175-B2 Class of histone deacetylase inhibitors DAC S.R.L. (IT) 2012-08-14 — — US disclosed
US-20110077247-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.r.I. (IT) 2011-03-31 — — US disclosed
EP-2049508-B1 N-HYDROXY-3-(4-{3-PHENYL-3-OXO-PROPENYL}-PHENYL)-ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF CANCER DAC SRL (IT) 2010-06-09 — — EP disclosed
US-20100113438-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2010-05-06 — — US disclosed
EP-2049508-A2 N-HYDROXY-3-(4-{3-PHENYL-3-OXO-PROPENYL}-PHENYL)-ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF CANCER DAC S.r.l. (IT) 2009-04-22 — — EP disclosed
WO-2007113249-A2 N-HYDROXY-3-(4-{3-PHENYL-S-OXO-PROPENYL}-PHENYL)-ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF CANCER DAC S.R.L. (IT) 2007-10-11 — — 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 (2 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-20110077247-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC11 RAB9A 4184/4885HRH3 36/4885MIF 4716/4885
US-20100113438-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC11 RAB9A 4184/4885HRH3 36/4885MIF 4716/4885

“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.