SCHEMBL5840975

SCHEMBL5840975

CCOC(=O)CCN1CCN2CCCCC2C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM3 P20309 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.41
TSHR P16473 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL5840962 0.90 SIGMAR1 (0.43) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL5175065 0.82 MAPK1 (0.49) CHRM1KMT2AMEN1ALDH1A1TSHR
SCHEMBL5842304 0.80 SIGMAR1 (0.54) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL12881451 0.79 TP53 (0.47) SIGMAR1CHRM1KMT2AALDH1A1POLB
SCHEMBL1206706 0.77 TP53 (0.39) CHRM1KMT2AMEN1ALDH1A1POLB
SCHEMBL12881438 0.76 TP53 (0.47) CHRM1ALDH1A1TSHRMAPK1
SCHEMBL23023818 0.76 SIGMAR1 (0.50) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL19677041 0.76 SIGMAR1 (0.50) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL8735577 0.76 ALDH1A1 (0.50) KMT2AALDH1A1POLBTSHRMAPK1
SCHEMBL8957048 0.75 LMNA (0.49) SIGMAR1CHRM1KMT2AALDH1A1POLB

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-6992085-B2 Octahydro-2H-pyrido[1,2-a]pyrazine compounds LES LABORATORIES SERVIER (FR) 2006-01-31 US disclosed
CN-1197863-C NOvel octahydro-2H-pyridino-[1,2-a] pyrazine compound, its prepn. process and medicinal compound contg. them SERVIER LAB (FR) 2005-04-20 CN disclosed
US-20030195216-A1 Octahydro-2H-pyrido[1,2-a] pyrazine compounds LES LABORATOIRES SERVIER (FR) 2003-10-16 US disclosed
CN-1397557-A NOvel octahydro-2H-pyridino-[1,2-a] pyrazine compound, its prepn. process and medicinal compound contg. them SAVOIREN LAB (FR) 2003-02-19 CN 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.