SCHEMBL5475237

SCHEMBL5475237

CCOC(CC(C(=O)C1CCCCC1)c1ccccc1F)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
KCNQ2 O43526 1/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HIF1A Q16665 1/20 0.36
OPRM1 P35372 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR3A P46098 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6193631 0.83 MEN1 (0.37) KMT2AMEN1GAA
SCHEMBL6695336 0.83 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1MAPK1NPSR1
SCHEMBL6195517 0.83 LMNA (0.35) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL5859331 0.83 KDM4E (0.43) KMT2AMEN1ALDH1A1OPRM1NPC1
SCHEMBL5474985 0.79 KCNQ2 (0.40) KMT2AMEN1KCNQ2ALDH1A1HIF1A
SCHEMBL28080811 0.76 KCNQ2 (0.47) KMT2AMEN1KCNQ2ALDH1A1OPRM1
SCHEMBL5861434 0.76 KMT2A (0.40) KMT2AMEN1KCNQ2HIF1ANPC1
SCHEMBL6195286 0.75 KMT2A (0.42) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL6193149 0.71 MEN1 (0.39) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL1897977 0.70 CES2 (0.36) KMT2AMEN1KCNQ2ALDH1A1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270436-A1 NOVEL AMINO- AND IMINO-ALKYLPIPERAZINES RECORDATI IRELAND LIMITED (IE) 2007-11-22 US disclosed
US-20060148821-A1 N,N-disubstituted diazocycloalkanes RECORDATI S.A. (CH) 2006-07-06 US disclosed
US-7071197-B2 N,N-disubstituted diazocycloalkanes RECORDATI S.A. (CH) 2006-07-04 US disclosed
EP-1549627-A1 1-PHENYLALKYL-PIPERAZINES Recordati Ireland Limited (IE) 2005-07-06 EP disclosed
EP-1515961-A1 N,N-DISUBSTITUTED DIAZOCYCLOALKANES USEFUL FOR THE TREATMENT OF CNS DISORDERS DUE TO SEROTONERGIC DYSFUNCTION Recordati Ireland Limited (IE) 2005-03-23 EP disclosed
US-20040072822-A1 N,N-disubstituted diazocycloalkanes RECORDATI S.A. (CH) 2004-04-15 US disclosed
US-20040072839-A1 1-Phenylalkylpiperazines RECORDATI S.A. (CH) 2004-04-15 US disclosed
WO-2003106444-A1 N,N-DISUBSTITUTED DIAZOCYCLOALKANES USEFUL FOR THE TREATMENT OF CNS DISORDERS DUE TO SEROTONERGIC DYSFUNCTION RECORDATI S.A. (CH) 2003-12-24 WO disclosed
WO-2003106443-A1 1-PHENYLALKYL-PIPERAZINES RECORDATI S.A. (CH) 2003-12-24 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 (4 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-20040072822-A1 N,N-disubstituted diazocycloalkanes HTR1D, HTR1A, HTR2C KMT2A 3664/4885MEN1 1195/4885KCNQ2 1701/4885
US-20040072839-A1 1-Phenylalkylpiperazines HTR5A, HTR1A, HTR1D KMT2A 3935/4885MEN1 4386/4885KCNQ2 1609/4885
US-20070270436-A1 NOVEL AMINO- AND IMINO-ALKYLPIPERAZINES HTR5A, HTR1A, HTR2C KMT2A 3556/4885MEN1 2127/4885KCNQ2 1674/4885
US-20060148821-A1 N,N-disubstituted diazocycloalkanes HTR1A, HTR1D, HTR2C KMT2A 4158/4885MEN1 804/4885KCNQ2 1654/4885

“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.