SCHEMBL4489433

SCHEMBL4489433

NCCC1CCCCN1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
OPRD1 P41143 1/20 0.50
SLC6A4 P31645 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45

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
Hydrochloric Acid SCHEMBL6092398 0.98 MEN1 (0.50) MEN1KMT2AOPRD1SLC6A4SIGMAR1
SCHEMBL24200095 0.95 SPHK2 (0.49) MEN1KMT2AOPRD1SPHK2SPHK1
SCHEMBL7272434 0.90 OPRD1 (0.47) MEN1KMT2AOPRD1SLC6A4SIGMAR1
SCHEMBL6335780 0.87 OPRD1 (0.52) OPRD1SPHK2SPHK1
SCHEMBL1713938 0.87 OPRD1 (0.52) OPRD1SPHK2SPHK1
SCHEMBL8414527 0.86 SPHK2 (0.47) SPHK2SPHK1
SCHEMBL11969174 0.86 OPRD1 (0.51) MEN1KMT2AOPRD1SLC6A4SIGMAR1
SCHEMBL24200047 0.86 OPRD1 (0.51) OPRD1SIGMAR1SPHK2SPHK1
SCHEMBL5967865 0.86 OPRD1 (0.51) MEN1KMT2AOPRD1SLC6A4SIGMAR1
SCHEMBL10682307 0.86 MEN1 (0.62) MEN1KMT2ASLC6A4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210213010-A1 TLR7/8 AGONISTS AND LIPOSOME COMPOSITIONS DANMARKS TEKNISKE UNIVERSITET (DK) 2021-07-15 US disclosed
US-7528147-B2 Pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2009-05-05 US disclosed
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
EP-1618093-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS Signal Pharmaceuticals LLC (US) 2006-01-25 EP disclosed
WO-2004094388-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2004-11-04 WO disclosed
EP-1313711-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-05-28 EP disclosed
WO-2002010137-A9 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARM INC (US) 2003-02-06 WO disclosed
WO-2002010137-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-02-07 WO disclosed
EP-0742216-B1 Cyclic amide derivatives EISAI CO LTD (JP) 2001-11-21 EP disclosed
EP-1116716-A1 Piperidine and piperazine compounds for use in the treatment of Alzheimer Eisai Co., Ltd. (JP) 2001-07-18 EP disclosed
US-5620976-A PREVENTION AND TREATMENT OF DISEASES DUE TO INSUFFICIENCY OF THE CENTRAL CHOLINE FUNCTIONS EISAI CO., LTD. (JP) 1997-04-15 US disclosed
EP-0742216-A2 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1996-11-13 EP disclosed
EP-0742207-A1 2-(Indan-1-one-2-yl-alkyl)-1-phenylalkyl-piperidines and processes for their preparation Eisai Co., Ltd. (JP) 1996-11-13 EP disclosed
US-5521182-A ACETYLCHOLINESTERASE INHIBITORS EISAI CO., LTD. (JP) 1996-05-28 US disclosed
EP-0677516-A1 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1995-10-18 EP disclosed
EP-0673927-A1 4-[2-indanyl-1-one]alkylpiperidines as anticholinergic agents Eisai Co., Ltd. (JP) 1995-09-27 EP disclosed
EP-0579263-A1 1,4-Substituted piperidines as acetylchozinesterase inhibitors and their use for the treatment of Alzheimer's disease Eisai Co., Ltd. (JP) 1994-01-19 EP disclosed
US-5100901-A Treatment of Alzheimer*s disease EISAI CO., LTD. (JP) 1992-03-31 US disclosed
EP-0468187-A2 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1992-01-29 EP disclosed
EP-0296560-A2 1,4-Substituted piperidines as acetylcholinesterase inhibitors and their use for the treatment of Alzheimer's disease Eisai Co., Ltd. (JP) 1988-12-28 EP 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-20210213010-A1 TLR7/8 AGONISTS AND LIPOSOME COMPOSITIONS TLR7, TLR9, TLR8 MEN1 2845/4885KMT2A 699/4885OPRD1 3403/4885
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors MAP3K19, MAP4K2, MAP3K1 MEN1 2982/4885KMT2A 1929/4885OPRD1 1298/4885

“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.