SCHEMBL5864185

SCHEMBL5864185

CCOC(=O)c1cc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)ccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.49
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CCR5 P51681 2/20 0.44
P2RY12 Q9H244 1/20 0.44
HTT P42858 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2B P41595 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR1A P08908 1/20 0.42

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
SCHEMBL5863895 0.80 KCNA3 (0.54) KCNA3ALDH1A1MAPTLMNA
SCHEMBL5863945 0.78 HTR1A (0.58) KCNA3HTR2BHTR1A
SCHEMBL5863254 0.77 KMT2A (0.46) KDM4EALDH1A1L3MBTL1MAPTMEN1
SCHEMBL5864253 0.76 KCNA3 (0.54) KCNA3ALDH1A1MAPTMEN1KMT2A
SCHEMBL5863920 0.75 CCR5 (0.47) CCR5
SCHEMBL5863834 0.74 KCNA3 (0.51) KCNA3KDM4EMAPTMEN1KMT2A
SCHEMBL5863884 0.74 CCR5 (0.51) CCR5
SCHEMBL5863534 0.73 KCNA3 (0.52) KCNA3KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL7239316 0.73 KCNA3 (0.45) KCNA3KDM4EALDH1A1MAPTMEN1
SCHEMBL5864102 0.73 SLC6A2 (0.48) KCNA3KDM4EALDH1A1MAPTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 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 (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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC KCNA3 3018/4885KDM4E 2536/4885ALDH1A1 1345/4885

“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.