SCHEMBL5840962

SCHEMBL5840962

CCOC(=O)CCCCCN1CCN2CCCCC2C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.43
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM3 P20309 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
BCHE P06276 1/20 0.37

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
SCHEMBL5840975 0.90 SIGMAR1 (0.47) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL6983501 0.82 SIGMAR1 (0.52) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL27065452 0.78 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1USP2ALOX15TDP1
SCHEMBL5175373 0.78 MAPK1 (0.47) CHRM1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL24001256 0.77 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1POLBALOX15TDP1
SCHEMBL24001095 0.77 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1POLBALOX15TDP1
SCHEMBL24757426 0.77 CYP1A2 (0.48) SMN1; SMN2ALDH1A1POLBALOX15TDP1
SCHEMBL5843143 0.76 SIGMAR1 (0.55) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL24001257 0.76 BCHE (0.48) SMN1; SMN2ALDH1A1USP2ALOX15TDP1
SCHEMBL28920842 0.76 BCHE (0.48) SMN1; SMN2ALDH1A1USP2ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992085-B2 Octahydro-2H-pyrido[1,2-a]pyrazine compounds LES LABORATORIES SERVIER (FR) 2006-01-31 US disclosed
US-20030195216-A1 Octahydro-2H-pyrido[1,2-a] pyrazine compounds LES LABORATOIRES SERVIER (FR) 2003-10-16 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-20030195216-A1 Octahydro-2H-pyrido[1,2-a] pyrazine compounds CYP2W1, OXER1, IL1R1 SIGMAR1 47/4885CHRM5 219/4885CHRM1 12/4885

“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.