SCHEMBL5841796

SCHEMBL5841796

Clc1ccccc1NCCCCN1CCN2CCCCC2C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.51
TMEM97 Q5BJF2 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
ABCB1 P08183 1/20 0.41
HTR7 P34969 1/20 0.40

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
Hydrochloric Acid SCHEMBL5840933 0.99 SIGMAR1 (0.50) SIGMAR1TMEM97CYP1A2CYP2D6SMN1; SMN2
SCHEMBL6986827 0.84 SIGMAR1 (0.47) SIGMAR1TMEM97ABCB1
Hydrochloric Acid SCHEMBL5842696 0.84 CHRM2 (0.49) SIGMAR1TMEM97ABCB1
SCHEMBL6987164 0.83 SIGMAR1 (0.46) SIGMAR1TMEM97ABCB1HTR7
Hydrochloric Acid SCHEMBL5841184 0.82 SIGMAR1 (0.46) SIGMAR1TMEM97ABCB1HTR7
SCHEMBL6987136 0.81 SIGMAR1 (0.50) SIGMAR1HTR7
SCHEMBL5841805 0.81 SIGMAR1 (0.61) SIGMAR1CYP2D6HTR7
Hydrochloric Acid SCHEMBL5841049 0.81 SIGMAR1 (0.49) SIGMAR1TMEM97HTR7
Hydrochloric Acid SCHEMBL5842025 0.80 SIGMAR1 (0.49) SIGMAR1HTR7
Hydrochloric Acid SCHEMBL5842691 0.80 SIGMAR1 (0.60) SIGMAR1CYP2D6HTR7

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 8 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 claimed
EP-1275647-B1 Octahydro-2H-pyrido[1,2-a]pyrazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-11-12 EP claimed
US-20030195216-A1 Octahydro-2H-pyrido[1,2-a] pyrazine compounds LES LABORATOIRES SERVIER (FR) 2003-10-16 US claimed
EP-1275647-A1 Octahydro-2H-pyrido[1,2-a]pyrazine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-01-15 EP claimed
US-6992085-B2 Octahydro-2H-pyrido[1,2-a]pyrazine compounds LES LABORATORIES SERVIER (FR) 2006-01-31 US disclosed
EP-1275647-B1 Octahydro-2H-pyrido[1,2-a]pyrazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-11-12 EP disclosed
US-20030195216-A1 Octahydro-2H-pyrido[1,2-a] pyrazine compounds LES LABORATOIRES SERVIER (FR) 2003-10-16 US disclosed
EP-1275647-A1 Octahydro-2H-pyrido[1,2-a]pyrazine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-01-15 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-20030195216-A1 Octahydro-2H-pyrido[1,2-a] pyrazine compounds CYP2W1, OXER1, IL1R1 SIGMAR1 47/4885TMEM97 1955/4885CYP1A2 66/4885

“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.