SCHEMBL5751863

SCHEMBL5751863

Oc1ccc(CCCN2CCNCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.70
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.49
GRIN2B Q13224 1/20 0.48
NMT1 P30419 1/20 0.47
SLC6A4 P31645 1/20 0.46
LTA4H P09960 1/20 0.46

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
SCHEMBL3634794 0.89 KCNH2 (0.59) SIGMAR1KCNJ1KCNH2SLC6A4
SCHEMBL14549517 0.84 LTA4H (0.64) SIGMAR1LTA4H
SCHEMBL15651128 0.83 SIGMAR1 (0.70) SIGMAR1KCNJ1KCNH2NMT1SLC6A4
SCHEMBL13858201 0.83 SIGMAR1 (0.70) SIGMAR1KCNJ1KCNH2NMT1SLC6A4
SCHEMBL5754907 0.83 SIGMAR1 (0.70) SIGMAR1KCNJ1KCNH2SLC6A4
SCHEMBL11630606 0.83 SIGMAR1 (0.70) SIGMAR1KCNJ1KCNH2NMT1SLC6A4
SCHEMBL9319743 0.83 SIGMAR1 (0.70) SIGMAR1KCNJ1KCNH2NMT1SLC6A4
SCHEMBL10677264 0.82 SIGMAR1 (1.00) SIGMAR1LTA4H
SCHEMBL457139 0.82 SIGMAR1 (1.00) SIGMAR1LTA4H
SCHEMBL10900908 0.81 SIGMAR1 (0.67) SIGMAR1KCNJ1KCNH2NMT1LTA4H

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-1976525-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2010-11-03 EP disclosed
US-20060246099-A1 Compositions containing piperazine compounds L'OREAL (FR) 2006-11-02 US disclosed
EP-1099692-B1 N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2006-05-03 EP disclosed
US-6737425-B1 SUCH AS 1-((4-CYANO-5-METHYL-4-PHENYL)HEXYL)-4-(2-(4-FLUORO -PHENOXY)ETHYL)PIPERAZINE; NERVE SELECTIVE CALCIUM ANTAGONISTS EISAI CO., LTD. (JP) 2004-05-18 US disclosed
CN-1310709-A N, N-substituted cyclic amine derivatives EISAI CO LTD (JP) 2001-08-29 CN disclosed
EP-1099692-A1 N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2001-05-16 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-20060246099-A1 Compositions containing piperazine compounds KLF5, CUTA, COL2A1 SIGMAR1 4633/4885KCNJ1 424/4885KCNH2 1069/4885

“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.