SCHEMBL5708578

SCHEMBL5708578

c1ccc(CCCN2CCN(CCOCc3ccccc3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 13/20 0.73
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ TP53 P04637 2/20 0.66
▸ CYP1A2 P05177 2/20 0.66
▸ CYP2D6 P10635 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ CYP2C9 P11712 2/20 0.66
▸ TSHR P16473 2/20 0.66
▸ NFKB1 P19838 2/20 0.66
▸ SLC6A2 P23975 2/20 0.66
▸ MAPK1 P28482 2/20 0.66
▸ SLC6A4 P31645 2/20 0.66
▸ CYP2C19 P33261 2/20 0.66
▸ THPO P40225 2/20 0.66
▸ MTOR P42345 2/20 0.66
▸ RAB9A P51151 2/20 0.66
▸ SLC6A3 Q01959 2/20 0.66
▸ HIF1A Q16665 2/20 0.66
▸ ALOX15 P16050 1/20 0.66
▸ HSD17B10 Q99714 1/20 0.66

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 SCHEMBL467279 0.98 SIGMAR1 (0.71) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
SCHEMBL26981197 0.91 LTA4H (0.75) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
SCHEMBL521127 0.91 SLC6A4 (0.68) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
SCHEMBL19557301 0.91 LTA4H (0.75) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7280212 0.90 SIGMAR1 (0.59) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL9646859 0.89 SIGMAR1 (0.58) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
SCHEMBL31305362 0.88 LTA4H (0.71) SIGMAR1SMN1; SMN2TP53CYP1A2CYP2D6
SCHEMBL6550825 0.86 SIGMAR1 (1.00) SIGMAR1LTA4HCCR3POLB
SCHEMBL2962629 0.86 SIGMAR1 (1.00) SIGMAR1LTA4HCCR3POLB
SCHEMBL29447351 0.84 LTA4H (0.87) SIGMAR1SMN1; SMN2RAB9ASLC6A3LTA4H

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-20060246099-A1 Compositions containing piperazine compounds L'OREAL (FR) 2006-11-02 — — US disclosed
EP-1714639-A1 Cosmetic compositions containing piperazine derivatives L'OREAL (FR) 2006-10-25 — — EP disclosed
US-5281598-A Psychological disorders AKZO N.V. (NL) 1994-01-25 — — US disclosed
EP-0566189-A1 Psychotropic piperazine derivative AKZO N.V. (NL) 1993-10-20 — — 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 4633/4885SMN1; SMN2 1159/4885TP53 4003/4885

“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.

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