SCHEMBL4928369

SCHEMBL4928369

CCN(CC)CCc1ccc(C(N)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.49
▸ PLA2G10 O15496 1/20 0.46
▸ PLA2G2A P14555 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PARP10 Q53GL7 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ SLC22A2 O15244 1/20 0.44
▸ SLC22A1 O15245 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ DRD3 P35462 1/20 0.43
▸ BLM P54132 2/20 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
SCHEMBL1348061 0.84 ALDH1A1 (0.57) ACHEL3MBTL1TSHRALDH1A1HDAC8
SCHEMBL7809399 0.81 HDAC8 (0.64) ACHEPLA2G10PLA2G2APARP10HRH3
SCHEMBL9283021 0.81 HRH3 (0.56) PLA2G10PLA2G2APARP10HRH3CA1
SCHEMBL11133065 0.80 KCNH2 (0.52) TSHRCYP2D6ALDH1A1HRH3DRD3
SCHEMBL24835214 0.79 CYP4A11 (0.58) ACHETSHRLMNACYP2D6ALDH1A1
SCHEMBL2464783 0.79 PLK1 (0.60) PLA2G10PLA2G2AL3MBTL1PARP10ALDH1A1
Hydrochloric Acid SCHEMBL27539972 0.77 PLK1 (0.58) PLA2G10PLA2G2AL3MBTL1PARP10ALDH1A1
SCHEMBL611594 0.76 ACHE (0.44) ACHEL3MBTL1TSHRCYP2D6HRH3
SCHEMBL5383332 0.76 ALDH1A1 (0.54) PLA2G10PLA2G2AL3MBTL1PARP10ALDH1A1
SCHEMBL24835208 0.76 RARB (0.54) ACHEL3MBTL1TSHRCYP2D6ALDH1A1

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
EP-1453831-A1 1H-PYRROLO(3,2-B)PYRIDINE-3-CARBOXYLIC ACID AMIDES Neurogen Corporation (US) 2004-09-08 — — EP claimed
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 — — US claimed
WO-2003044018-A1 1H-PYRROLO[3,2-B]PYRIDINE-3-CARBOXYLIC ACID AMIDES NEUROGEN CORPORATION (US) 2003-05-30 — — WO claimed
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them ROSSI CRISTINA 2008-08-28 — — US disclosed
EP-1868997-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM Menarini International Operations Luxembourg S.A. (LU) 2007-12-26 — — EP disclosed
WO-2006097460-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2006-09-21 — — WO disclosed
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 — — US 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-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them HDAC1, HDAC8, HDAC9 ACHE 2099/4885PLA2G10 4856/4885PLA2G2A 4822/4885

“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.

Send feedback