SCHEMBL5232122

SCHEMBL5232122

CC(C)C(C#N)(CCCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.41
ACKR3 P25106 4/20 0.39
HTT P42858 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH2 P25021 2/20 0.37
HRH1 P35367 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TLR8 Q9NR97 1/20 0.36
EPHX2 P34913 3/20 0.36
NSD2 O96028 1/20 0.36
EHMT2 Q96KQ7 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
SCHEMBL5753510 0.81 KCNA3 (0.46) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL5228177 0.81 HRH2 (0.39) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL5240611 0.80 CACNA1B (0.33)
SCHEMBL5229517 0.80 KCNA3 (0.49) HRH2HRH1NSD2
SCHEMBL6486928 0.79 GPR119 (0.46) GPR119ACKR3CHRM2CHRM4CHRM1
SCHEMBL5241749 0.78 CACNA1B (0.48) HRH1
SCHEMBL5240703 0.77 ALDH1A1 (0.44) HTTALDH1A1MAPTHRH1HRH3
SCHEMBL14431932 0.75 L3MBTL1 (0.45) HTTNPC1ALDH1A1MAPK1RAB9A
SCHEMBL5242024 0.75 CACNA1B (0.42) HTTALDH1A1MAPK1L3MBTL1HRH1
SCHEMBL5234934 0.75 HRH2 (0.41) CHRM2CHRM3HRH2HRH1HRH3

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
EP-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 EP disclosed
EP-1254895-B1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2007-05-23 EP disclosed
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-04-20 US disclosed
US-6906072-B1 Piperazine compound and pharmaceutical composition containing the compound EISAI CO., LTD. (JP) 2005-06-14 US disclosed
US-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI CO., LTD. 2004-11-04 US disclosed
EP-1254895-A1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 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-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1D, CACNA1B, CACNA1E GPR119 623/4885ACKR3 2388/4885HTT 932/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D GPR119 443/4885ACKR3 2042/4885HTT 743/4885

“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.